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Acta Crystallogr Sect E Struct Rep Online. 2010 July 1; 66(Pt 7): m797–m798.
Published online 2010 June 16. doi:  10.1107/S1600536810021811
PMCID: PMC3006805

Penta­kis(ethyl­enediammonium) tri-μ-sulfato-bis­[tris­ulfatocerate(IV)] trihydrate

Abstract

In the cerate(IV) anion of the title salt, (C2H10N2)5[Ce2(SO4)9]·3H2O, the two metal atoms are bridged by three sulfate units; each metal atom is itself chelated by other three sulfate units so that the metal atoms exist in nine-coordinate tricapped trigonal-prismatic geometries. The anions, cations and uncoordinated water mol­ecules are linked by O—H(...)O and N—H(...)O hydrogen bonds, forming a three-dimensional network. One of the five cations is disordered with respect to the ethyl­ene portion in a 1:1 ratio.

Related literature

For the crystal structures of other ethyl­enediammonium sulfato­cerate(III) salts, see: Fu et al. (2005 [triangle], 2006 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m797-scheme1.jpg

Experimental

Crystal data

  • (C2H10N2)5[Ce2(SO4)9]·3H2O
  • M r = 1509.43
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m797-efi1.jpg
  • a = 11.6716 (2) Å
  • b = 13.3506 (2) Å
  • c = 15.4143 (2) Å
  • α = 83.8823 (5)°
  • β = 88.0962 (5)°
  • γ = 73.7832 (6)°
  • V = 2293.18 (6) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 2.49 mm−1
  • T = 293 K
  • 0.15 × 0.10 × 0.05 mm

Data collection

  • Bruker Kappa APEXII diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.706, T max = 0.885
  • 39247 measured reflections
  • 10407 independent reflections
  • 9501 reflections with I > 2σ(I)
  • R int = 0.032

Refinement

  • R[F 2 > 2σ(F 2)] = 0.029
  • wR(F 2) = 0.117
  • S = 1.25
  • 10407 reflections
  • 637 parameters
  • 37 restraints
  • H-atom parameters constrained
  • Δρmax = 1.80 e Å−3
  • Δρmin = −1.56 e Å−3

Data collection: APEX2 (Bruker, 2009 [triangle]); cell refinement: SAINT (Bruker, 2009 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: X-SEED (Barbour, 2001 [triangle]); software used to prepare material for publication: publCIF (Westrip, 2010 [triangle]).

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810021811/xu2776sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810021811/xu2776Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

We thank GC University and the University of Malaya for supporting this study.

supplementary crystallographic information

Comment

The reaction of cerium nitrate and ethylenediamine in concentrated sulfuric acid yields (C2H10N2)3[Ce2(SO4)6(H2O)2].4H2O, a compound adopting a layer structure (Fu et al., 2005). Under hydrothemal conditions, (C2H10N2)2[Ce2(SO4)5(H2O)2], which adopts a chain structure, is obtained (Fu et al., 2006). The two salts have the metal atom in the +3 oxidation state. Under less drastic conditions, a cerate(IV) salt results (Scheme I, Fig. 1). The cerate(IV) anion of the salt, (C10H10N2)52+ [Ce2(SO4)9]10-.3H2O, has the two metal atoms bridged by three sulfate units; each metal atom itself is chelated by three sulfate units so that the metal atoms exist in nine-coordinate tricapped trigonal prismatic geometries (Fig. 2). The anions, cations and lattice water molecules are linked by O–H···O and N–H···O hydrogen bonds to form a three-dimensional network.

Experimental

Ethylenediamine (0.33 ml, 5 mmol) dissolved in water (10 ml) was added to cerium(IV) sulfate tetrahydrate (0.40 g, 1 mmol) dissolved in water (20 ml). Concentrated sulfuric acid (4 drops) were added. The solution was filtered and set aside for the growth of the faint yellow crystals.

Refinement

Carbon-bound H-atoms were placed in calculated positions (C–H 0.93 to 0.98 Å, N–H 0.86 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5U(C,N).

The water H-atoms were placed in chemically sensible positions on the basis of hydrogen bonding but were not refined (O–H 0.84±0.01 Å).

One of the cations is disordered with respect to the ethylene portion. The N–C and C–C distances of the unprimed and primed atoms were restrained to within 0.01 Å of each other, and the temperature factors of the primed atoms were set to those of the unprimed ones. The anisotropic temperature factors were restrained to be nearly isotropic. The occupancy could not be refined, and was fixed as 1:1.

The final difference Fourier map had a peak at 2 Å from H10d and a hole in the vicinity of Ce2. Attempts to refine the peak as an oxygen atom led to an impossibly large temperature factor.

Figures

Fig. 1.
Thermal ellipsoid plot (Barbour, 2001) of (C10H10N2)52+ [Ce2(SO4)9]10-.3H2O at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. The disorder in one of the cations is not shown.
Fig. 2.
Tricapped trigonal prismatic geometries of the two cerium atoms.

Crystal data

(C2H10N2)5[Ce2(SO4)9]·3H2OZ = 2
Mr = 1509.43F(000) = 1516
Triclinic, P1Dx = 2.186 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.6716 (2) ÅCell parameters from 9964 reflections
b = 13.3506 (2) Åθ = 2.7–28.3°
c = 15.4143 (2) ŵ = 2.49 mm1
α = 83.8823 (5)°T = 293 K
β = 88.0962 (5)°Prism, yellow
γ = 73.7832 (6)°0.15 × 0.10 × 0.05 mm
V = 2293.18 (6) Å3

Data collection

Bruker Kappa APEXII diffractometer10407 independent reflections
Radiation source: fine-focus sealed tube9501 reflections with I > 2σ(I)
graphiteRint = 0.032
[var phi] and ω scansθmax = 27.5°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −15→14
Tmin = 0.706, Tmax = 0.885k = −17→17
39247 measured reflectionsl = −19→20

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.117H-atom parameters constrained
S = 1.25w = 1/[σ2(Fo2) + (0.063P)2 + 3.8392P] where P = (Fo2 + 2Fc2)/3
10407 reflections(Δ/σ)max = 0.001
637 parametersΔρmax = 1.80 e Å3
37 restraintsΔρmin = −1.56 e Å3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/UeqOcc. (<1)
Ce10.410973 (19)0.305621 (17)0.758794 (14)0.01510 (8)
Ce20.080676 (18)0.667221 (17)0.741576 (13)0.01455 (8)
S10.66051 (10)0.29972 (9)0.81865 (7)0.0236 (2)
S20.46340 (9)0.22045 (9)0.58031 (7)0.0212 (2)
S30.39340 (10)0.10271 (8)0.87151 (7)0.0218 (2)
S40.39297 (8)0.57690 (8)0.66960 (6)0.0173 (2)
S50.23515 (9)0.47334 (8)0.91610 (6)0.01623 (19)
S60.09780 (9)0.40080 (8)0.68544 (6)0.0180 (2)
S70.12669 (9)0.84940 (8)0.83149 (7)0.0210 (2)
S80.02052 (9)0.77599 (9)0.55550 (7)0.0210 (2)
S9−0.17573 (9)0.67948 (9)0.80323 (7)0.0231 (2)
O10.5437 (3)0.3400 (3)0.8648 (2)0.0278 (7)
O20.6208 (3)0.2695 (3)0.7357 (2)0.0243 (7)
O30.7347 (3)0.2085 (3)0.8696 (3)0.0372 (8)
O40.7175 (3)0.3831 (3)0.7987 (3)0.0405 (9)
O50.4471 (3)0.3288 (3)0.60302 (19)0.0246 (7)
O60.4531 (3)0.1610 (3)0.6682 (2)0.0241 (6)
O70.3675 (3)0.2156 (3)0.5235 (2)0.0333 (8)
O80.5795 (3)0.1795 (3)0.5419 (2)0.0355 (8)
O90.4956 (3)0.1498 (3)0.8581 (2)0.0312 (8)
O100.2976 (3)0.1786 (2)0.8170 (2)0.0238 (6)
O110.3594 (4)0.0990 (3)0.9630 (2)0.0392 (9)
O120.4245 (3)−0.0008 (3)0.8411 (3)0.0351 (8)
O130.4181 (3)0.4760 (2)0.7249 (2)0.0257 (7)
O140.2622 (3)0.6211 (3)0.6645 (2)0.0250 (7)
O150.4414 (3)0.5613 (3)0.5831 (2)0.0328 (8)
O160.4460 (3)0.6459 (3)0.7116 (2)0.0299 (7)
O170.2921 (3)0.3836 (3)0.8656 (2)0.0306 (8)
O180.1990 (3)0.5698 (2)0.85332 (19)0.0226 (6)
O190.1315 (3)0.4530 (3)0.9600 (2)0.0310 (7)
O200.3203 (4)0.4870 (3)0.9764 (2)0.0389 (9)
O210.2282 (3)0.3535 (3)0.6879 (2)0.0296 (7)
O220.0714 (3)0.5025 (2)0.7233 (2)0.0279 (7)
O230.0569 (3)0.4180 (3)0.5965 (2)0.0415 (9)
O240.0395 (3)0.3339 (3)0.7392 (3)0.0374 (9)
O250.0411 (3)0.6639 (2)0.5877 (2)0.0223 (6)
O260.0327 (3)0.8243 (2)0.6372 (2)0.0244 (7)
O27−0.0958 (3)0.8207 (3)0.5168 (2)0.0328 (8)
O280.1162 (3)0.7889 (3)0.4947 (2)0.0324 (8)
O290.2095 (3)0.7767 (2)0.7738 (2)0.0238 (6)
O300.0181 (3)0.8086 (3)0.8333 (2)0.0240 (6)
O310.1753 (3)0.8365 (3)0.9184 (2)0.0344 (8)
O320.0989 (3)0.9564 (3)0.7927 (3)0.0351 (8)
O33−0.0600 (3)0.6309 (3)0.8508 (2)0.0243 (7)
O34−0.1330 (3)0.7152 (3)0.7153 (2)0.0259 (7)
O35−0.2403 (3)0.6036 (3)0.7966 (3)0.0414 (9)
O36−0.2466 (3)0.7696 (3)0.8444 (2)0.0373 (9)
O1W0.0459 (4)0.8229 (3)0.3206 (2)0.0413 (9)
H110.04220.76740.30130.062*
H120.07610.80760.37060.062*
O2W−0.5370 (4)1.1917 (3)0.3535 (2)0.0415 (9)
H21−0.52521.24930.33410.062*
H22−0.57141.19890.40210.062*
O3W0.2480 (6)1.0066 (4)0.1103 (4)0.0817 (18)
H310.31850.98350.09280.122*
H320.20191.01110.06840.122*
N1−0.2105 (4)0.8748 (3)0.3409 (3)0.0350 (10)
H1A−0.24680.84560.30780.052*
H1B−0.20360.84190.39240.052*
H1C−0.14080.87260.31990.052*
N2−0.2740 (3)1.1506 (3)0.3963 (3)0.0267 (8)
H2A−0.23751.17950.42940.040*
H2B−0.34761.16260.41200.040*
H2C−0.27001.17630.34300.040*
N30.1325 (5)1.0010 (5)0.2686 (4)0.0558 (15)
H3A0.09750.95330.26290.084*
H3B0.16111.01860.21910.084*
H3C0.08191.05490.28680.084*
N40.3721 (4)1.0569 (4)0.2712 (3)0.0430 (11)
H4A0.40751.10260.28210.065*
H4B0.32951.07930.22490.065*
H4C0.42450.99890.26320.065*
N50.5317 (4)0.5677 (3)0.8773 (3)0.0324 (9)
H5A0.50750.51210.88430.049*
H5B0.60140.55450.89980.049*
H5C0.53520.58700.82240.049*
N60.4107 (4)0.8284 (3)0.9635 (3)0.0306 (9)
H6A0.43450.88410.95650.046*
H6B0.41570.80441.01770.046*
H6C0.33780.84310.94680.046*
N70.6676 (4)0.3958 (4)0.5790 (3)0.0357 (10)
H7A0.62530.42450.62120.053*0.50
H7B0.70830.33320.59730.053*0.50
H7C0.62150.39340.53740.053*0.50
H7'A0.59850.41610.60290.053*0.50
H7'B0.69830.33000.59390.053*0.50
H7'C0.66050.40670.52320.053*0.50
N80.8303 (4)0.6006 (4)0.5694 (3)0.0408 (11)
H8A0.81900.65520.59720.061*0.50
H8B0.81650.61980.51490.061*0.50
H8C0.90290.56280.57620.061*0.50
H8'A0.79230.63370.61130.061*0.50
H8'B0.83940.64500.52690.061*0.50
H8'C0.89910.56250.58770.061*0.50
N9−0.0783 (4)0.4128 (3)0.8926 (3)0.0276 (8)
H9A−0.14310.46080.90080.041*
H9B−0.07390.39990.83890.041*
H9C−0.01810.43380.90490.041*
N100.1284 (4)0.2375 (4)0.9970 (3)0.0443 (12)
H10A0.19160.18710.99030.066*
H10B0.10600.23421.05070.066*
H10C0.14360.29650.98270.066*
C1−0.2796 (5)0.9847 (4)0.3455 (4)0.0319 (11)
H1D−0.35880.98740.36820.038*
H1E−0.28781.02190.28750.038*
C2−0.2175 (4)1.0364 (4)0.4038 (3)0.0280 (10)
H2D−0.22181.00730.46380.034*
H2E−0.13401.02270.38730.034*
C30.2286 (5)0.9607 (4)0.3313 (4)0.0389 (12)
H3D0.28460.89930.31090.047*
H3E0.19590.93900.38650.047*
C40.2942 (5)1.0394 (4)0.3458 (4)0.0380 (12)
H4D0.23681.10550.35550.046*
H4E0.34251.01530.39790.046*
C50.4478 (5)0.6522 (4)0.9205 (4)0.0329 (11)
H5D0.36920.66670.89510.039*
H5E0.44220.62940.98190.039*
C60.4864 (5)0.7484 (5)0.9110 (4)0.0427 (14)
H6D0.48230.77620.85000.051*
H6E0.56870.73220.92960.051*
C70.7506 (10)0.4589 (9)0.5464 (7)0.0413 (18)0.50
H7D0.83120.41320.54330.050*0.50
H7E0.72720.49230.48820.050*0.50
C80.7473 (10)0.5378 (8)0.6045 (7)0.0387 (17)0.50
H8D0.77190.50470.66260.046*0.50
H8E0.66670.58340.60810.046*0.50
C7'0.7458 (10)0.4569 (9)0.6093 (7)0.0413 (18)0.50
H7'D0.71050.49170.65970.050*0.50
H7'E0.82350.41020.62570.050*0.50
C8'0.7581 (10)0.5332 (8)0.5388 (7)0.0387 (17)0.50
H8'D0.67990.57680.52000.046*0.50
H8'E0.79780.49790.48970.046*0.50
C9−0.0779 (4)0.3166 (4)0.9493 (4)0.0358 (11)
H9D−0.14630.29380.93500.043*
H9E−0.08680.33281.00950.043*
C100.0330 (6)0.2284 (4)0.9413 (4)0.0434 (14)
H10D0.01530.16210.95800.052*
H10E0.05970.22900.88110.052*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Ce10.01515 (12)0.01357 (12)0.01596 (12)−0.00325 (9)0.00032 (8)−0.00078 (8)
Ce20.01380 (12)0.01378 (12)0.01517 (12)−0.00302 (8)0.00015 (8)0.00022 (8)
S10.0237 (5)0.0225 (5)0.0262 (5)−0.0094 (4)−0.0079 (4)0.0017 (4)
S20.0195 (5)0.0269 (6)0.0176 (5)−0.0065 (4)0.0014 (4)−0.0044 (4)
S30.0240 (5)0.0179 (5)0.0226 (5)−0.0063 (4)0.0014 (4)0.0029 (4)
S40.0147 (4)0.0173 (5)0.0183 (5)−0.0036 (4)0.0008 (3)0.0024 (4)
S50.0174 (4)0.0170 (5)0.0139 (4)−0.0042 (4)−0.0009 (3)−0.0011 (3)
S60.0155 (4)0.0196 (5)0.0199 (5)−0.0051 (4)−0.0002 (3)−0.0057 (4)
S70.0216 (5)0.0204 (5)0.0218 (5)−0.0064 (4)−0.0014 (4)−0.0038 (4)
S80.0218 (5)0.0240 (5)0.0169 (5)−0.0073 (4)−0.0024 (4)0.0029 (4)
S90.0161 (5)0.0233 (5)0.0280 (5)−0.0045 (4)0.0039 (4)0.0016 (4)
O10.0311 (17)0.0296 (18)0.0234 (16)−0.0077 (14)−0.0036 (13)−0.0061 (13)
O20.0181 (14)0.0315 (18)0.0240 (15)−0.0070 (13)−0.0018 (12)−0.0053 (13)
O30.0341 (19)0.033 (2)0.043 (2)−0.0078 (16)−0.0165 (16)0.0065 (16)
O40.039 (2)0.036 (2)0.054 (2)−0.0247 (17)−0.0120 (17)0.0049 (18)
O50.0269 (16)0.0259 (17)0.0190 (15)−0.0046 (13)0.0005 (12)−0.0015 (12)
O60.0290 (16)0.0242 (16)0.0205 (15)−0.0097 (13)0.0033 (12)−0.0027 (12)
O70.0309 (18)0.048 (2)0.0250 (17)−0.0143 (16)−0.0048 (13)−0.0102 (15)
O80.0254 (17)0.051 (2)0.0260 (17)−0.0022 (16)0.0076 (13)−0.0084 (16)
O90.0254 (17)0.0291 (18)0.0391 (19)−0.0116 (14)−0.0095 (14)0.0102 (15)
O100.0222 (15)0.0207 (16)0.0267 (16)−0.0045 (12)−0.0007 (12)0.0012 (12)
O110.048 (2)0.040 (2)0.0233 (17)−0.0065 (18)0.0046 (15)0.0077 (15)
O120.041 (2)0.0155 (16)0.047 (2)−0.0064 (14)0.0008 (16)−0.0009 (14)
O130.0307 (17)0.0163 (15)0.0283 (16)−0.0059 (13)−0.0007 (13)0.0038 (12)
O140.0145 (14)0.0292 (17)0.0273 (16)0.0005 (12)−0.0006 (12)−0.0026 (13)
O150.0289 (17)0.045 (2)0.0208 (16)−0.0055 (15)0.0075 (13)0.0005 (14)
O160.0326 (18)0.0262 (18)0.0357 (18)−0.0175 (14)−0.0053 (14)0.0024 (14)
O170.0371 (19)0.0220 (17)0.0299 (17)−0.0036 (14)0.0121 (14)−0.0065 (13)
O180.0248 (15)0.0204 (15)0.0204 (14)−0.0041 (12)−0.0030 (12)0.0027 (12)
O190.0264 (16)0.0330 (19)0.0332 (18)−0.0105 (14)0.0102 (14)0.0009 (14)
O200.049 (2)0.038 (2)0.0341 (19)−0.0196 (18)−0.0234 (17)0.0028 (16)
O210.0162 (15)0.0327 (19)0.0345 (18)0.0015 (13)−0.0007 (13)−0.0019 (14)
O220.0339 (18)0.0183 (16)0.0316 (17)−0.0072 (14)0.0011 (14)−0.0036 (13)
O230.038 (2)0.058 (3)0.0269 (18)−0.0062 (18)−0.0092 (15)−0.0131 (17)
O240.042 (2)0.034 (2)0.045 (2)−0.0245 (17)0.0151 (17)−0.0109 (16)
O250.0248 (15)0.0193 (15)0.0227 (15)−0.0067 (12)−0.0007 (12)0.0006 (12)
O260.0295 (16)0.0230 (16)0.0207 (15)−0.0080 (13)−0.0017 (12)−0.0010 (12)
O270.0301 (18)0.0333 (19)0.0295 (18)−0.0018 (15)−0.0106 (14)0.0058 (14)
O280.0364 (19)0.046 (2)0.0189 (15)−0.0208 (17)0.0047 (13)0.0018 (14)
O290.0234 (15)0.0243 (16)0.0234 (15)−0.0063 (13)0.0016 (12)−0.0025 (12)
O300.0212 (15)0.0245 (16)0.0272 (16)−0.0071 (13)0.0024 (12)−0.0057 (13)
O310.0372 (19)0.047 (2)0.0231 (17)−0.0166 (17)−0.0035 (14)−0.0087 (15)
O320.039 (2)0.0211 (17)0.045 (2)−0.0077 (15)−0.0047 (16)0.0010 (15)
O330.0194 (14)0.0246 (16)0.0257 (16)−0.0030 (12)0.0017 (12)0.0031 (12)
O340.0203 (15)0.0318 (18)0.0230 (16)−0.0054 (13)0.0014 (12)0.0027 (13)
O350.0299 (19)0.036 (2)0.062 (3)−0.0182 (16)−0.0031 (17)0.0027 (18)
O360.0285 (18)0.038 (2)0.038 (2)0.0031 (15)0.0065 (15)−0.0053 (16)
O1W0.057 (2)0.038 (2)0.0344 (19)−0.0221 (18)−0.0095 (17)−0.0007 (16)
O2W0.053 (2)0.043 (2)0.0331 (19)−0.0232 (19)0.0055 (17)−0.0021 (16)
O3W0.102 (4)0.049 (3)0.087 (4)−0.012 (3)0.034 (3)−0.011 (3)
N10.036 (2)0.033 (2)0.039 (2)−0.0117 (19)−0.0032 (18)−0.0118 (19)
N20.0274 (19)0.023 (2)0.031 (2)−0.0109 (16)0.0077 (16)−0.0026 (16)
N30.038 (3)0.060 (4)0.066 (4)−0.015 (3)−0.011 (2)0.014 (3)
N40.028 (2)0.053 (3)0.047 (3)−0.012 (2)0.003 (2)−0.001 (2)
N50.037 (2)0.026 (2)0.034 (2)−0.0062 (18)−0.0090 (18)−0.0033 (17)
N60.034 (2)0.028 (2)0.032 (2)−0.0128 (18)0.0010 (17)−0.0009 (17)
N70.039 (2)0.034 (2)0.038 (2)−0.020 (2)0.0019 (19)−0.0022 (19)
N80.038 (2)0.042 (3)0.050 (3)−0.024 (2)−0.001 (2)−0.005 (2)
N90.0265 (19)0.027 (2)0.028 (2)−0.0066 (16)−0.0008 (15)−0.0035 (16)
N100.033 (2)0.041 (3)0.053 (3)−0.002 (2)−0.005 (2)0.001 (2)
C10.033 (2)0.024 (2)0.042 (3)−0.012 (2)−0.005 (2)−0.004 (2)
C20.034 (2)0.022 (2)0.030 (2)−0.0106 (19)−0.0046 (19)−0.0008 (18)
C30.040 (3)0.028 (3)0.046 (3)−0.007 (2)−0.004 (2)0.004 (2)
C40.041 (3)0.034 (3)0.037 (3)−0.008 (2)0.007 (2)−0.002 (2)
C50.034 (3)0.031 (3)0.036 (3)−0.012 (2)0.001 (2)−0.003 (2)
C60.037 (3)0.037 (3)0.057 (4)−0.014 (2)0.019 (3)−0.008 (3)
C70.043 (4)0.051 (5)0.040 (4)−0.029 (4)0.007 (4)−0.007 (4)
C80.043 (4)0.038 (4)0.041 (4)−0.024 (3)0.005 (3)−0.002 (3)
C7'0.043 (4)0.051 (5)0.040 (4)−0.029 (4)0.007 (4)−0.007 (4)
C8'0.043 (4)0.038 (4)0.041 (4)−0.024 (3)0.005 (3)−0.002 (3)
C90.027 (2)0.035 (3)0.045 (3)−0.012 (2)−0.006 (2)0.005 (2)
C100.061 (4)0.030 (3)0.034 (3)−0.001 (3)−0.012 (3)−0.008 (2)

Geometric parameters (Å, °)

Ce1—O172.265 (3)N3—C31.451 (7)
Ce1—O132.303 (3)N3—H3A0.8600
Ce1—O212.323 (3)N3—H3B0.8600
Ce1—O22.382 (3)N3—H3C0.8600
Ce1—O52.426 (3)N4—C41.482 (7)
Ce1—O62.433 (3)N4—H4A0.8600
Ce1—O92.434 (3)N4—H4B0.8600
Ce1—O12.451 (3)N4—H4C0.8600
Ce1—O102.506 (3)N5—C51.475 (6)
Ce2—O222.279 (3)N5—H5A0.8600
Ce2—O182.290 (3)N5—H5B0.8600
Ce2—O142.353 (3)N5—H5C0.8600
Ce2—O302.414 (3)N6—C61.478 (7)
Ce2—O332.419 (3)N6—H6A0.8600
Ce2—O342.432 (3)N6—H6B0.8600
Ce2—O252.438 (3)N6—H6C0.8600
Ce2—O262.446 (3)N7—C71.495 (8)
Ce2—O292.465 (3)N7—C7'1.497 (8)
Ce2—S93.0752 (10)N7—H7A0.8600
Ce2—S83.0830 (10)N7—H7B0.8600
Ce2—S73.1021 (11)N7—H7C0.8600
S1—O31.450 (4)N7—H7'A0.8599
S1—O41.450 (4)N7—H7'B0.8599
S1—O11.504 (3)N7—H7'C0.8600
S1—O21.506 (3)N8—C81.502 (8)
S2—O81.445 (3)N8—C8'1.511 (8)
S2—O71.463 (3)N8—H8A0.8600
S2—O51.483 (3)N8—H8B0.8600
S2—O61.514 (3)N8—H8C0.8600
S3—O111.452 (4)N8—H8'A0.8600
S3—O121.452 (4)N8—H8'B0.8603
S3—O101.494 (3)N8—H8'C0.8598
S3—O91.494 (3)N9—C91.473 (7)
S4—O151.444 (3)N9—H9A0.8600
S4—O161.457 (3)N9—H9B0.8600
S4—O141.477 (3)N9—H9C0.8600
S4—O131.476 (3)N10—C101.467 (8)
S5—O191.444 (3)N10—H10A0.8600
S5—O201.444 (3)N10—H10B0.8600
S5—O171.484 (3)N10—H10C0.8600
S5—O181.494 (3)C1—C21.504 (7)
S6—O231.441 (4)C1—H1D0.9700
S6—O241.447 (4)C1—H1E0.9700
S6—O211.476 (3)C2—H2D0.9700
S6—O221.485 (3)C2—H2E0.9700
S7—O321.440 (4)C3—C41.501 (8)
S7—O311.447 (3)C3—H3D0.9700
S7—O291.507 (3)C3—H3E0.9700
S7—O301.511 (3)C4—H4D0.9700
S8—O271.442 (3)C4—H4E0.9700
S8—O281.469 (3)C5—C61.467 (8)
S8—O251.481 (3)C5—H5D0.9700
S8—O261.502 (3)C5—H5E0.9700
S9—O351.435 (4)C6—H6D0.9700
S9—O361.452 (4)C6—H6E0.9700
S9—O331.503 (3)C7—C81.446 (11)
S9—O341.505 (3)C7—H7D0.9700
O1W—H110.8401C7—H7E0.9700
O1W—H120.8400C8—H8D0.9700
O2W—H210.8401C8—H8E0.9700
O2W—H220.8400C7'—C8'1.440 (11)
O3W—H310.8401C7'—H7'D0.9700
O3W—H320.8401C7'—H7'E0.9700
N1—C11.471 (6)C8'—H8'D0.9700
N1—H1A0.8600C8'—H8'E0.9700
N1—H1B0.8600C9—C101.499 (8)
N1—H1C0.8600C9—H9D0.9700
N2—C21.477 (6)C9—H9E0.9700
N2—H2A0.8600C10—H10D0.9700
N2—H2B0.8600C10—H10E0.9700
N2—H2C0.8600
O17—Ce1—O1380.01 (12)O34—S9—Ce251.12 (12)
O17—Ce1—O2180.34 (13)S1—O1—Ce198.64 (15)
O13—Ce1—O2187.44 (12)S1—O2—Ce1101.51 (15)
O17—Ce1—O2131.34 (12)S2—O5—Ce1100.54 (16)
O13—Ce1—O282.31 (11)S2—O6—Ce199.30 (16)
O21—Ce1—O2143.51 (11)S3—O9—Ce1102.10 (17)
O17—Ce1—O5141.40 (12)S3—O10—Ce198.97 (15)
O13—Ce1—O572.80 (11)S4—O13—Ce1153.8 (2)
O21—Ce1—O571.73 (11)S4—O14—Ce2146.8 (2)
O2—Ce1—O571.79 (11)S5—O17—Ce1153.9 (2)
O17—Ce1—O6144.82 (12)S5—O18—Ce2150.4 (2)
O13—Ce1—O6129.96 (11)S6—O21—Ce1151.9 (2)
O21—Ce1—O682.96 (11)S6—O22—Ce2158.4 (2)
O2—Ce1—O677.31 (11)S8—O25—Ce2100.89 (16)
O5—Ce1—O657.53 (11)S8—O26—Ce299.91 (16)
O17—Ce1—O991.38 (13)S7—O29—Ce299.91 (15)
O13—Ce1—O9141.67 (12)S7—O30—Ce2101.98 (15)
O21—Ce1—O9128.13 (12)S9—O33—Ce2100.69 (15)
O2—Ce1—O975.69 (11)S9—O34—Ce2100.08 (16)
O5—Ce1—O9126.81 (12)H11—O1W—H12108.4
O6—Ce1—O975.13 (12)H21—O2W—H22108.4
O17—Ce1—O173.66 (12)H31—O3W—H32108.2
O13—Ce1—O172.84 (12)C1—N1—H1A109.5
O21—Ce1—O1149.54 (11)C1—N1—H1B109.5
O2—Ce1—O157.83 (11)H1A—N1—H1B109.5
O5—Ce1—O1121.46 (11)C1—N1—H1C109.5
O6—Ce1—O1127.49 (11)H1A—N1—H1C109.5
O9—Ce1—O168.91 (12)H1B—N1—H1C109.5
O17—Ce1—O1074.58 (11)C2—N2—H2A109.5
O13—Ce1—O10149.60 (11)C2—N2—H2B109.5
O21—Ce1—O1072.23 (11)H2A—N2—H2B109.5
O2—Ce1—O10127.28 (11)C2—N2—H2C109.5
O5—Ce1—O10119.21 (11)H2A—N2—H2C109.5
O6—Ce1—O1070.90 (10)H2B—N2—H2C109.5
O9—Ce1—O1056.32 (10)C3—N3—H3A109.5
O1—Ce1—O10114.49 (11)C3—N3—H3B109.5
O22—Ce2—O1878.58 (12)H3A—N3—H3B109.5
O22—Ce2—O1485.12 (12)C3—N3—H3C109.5
O18—Ce2—O1481.55 (11)H3A—N3—H3C109.5
O22—Ce2—O30144.24 (11)H3B—N3—H3C109.5
O18—Ce2—O3088.54 (11)C4—N4—H4A109.5
O14—Ce2—O30126.13 (11)C4—N4—H4B109.5
O22—Ce2—O3375.05 (11)H4A—N4—H4B109.5
O18—Ce2—O3376.07 (11)C4—N4—H4C109.5
O14—Ce2—O33152.51 (11)H4A—N4—H4C109.5
O30—Ce2—O3369.48 (11)H4B—N4—H4C109.5
O22—Ce2—O3483.91 (12)C5—N5—H5A109.5
O18—Ce2—O34133.17 (11)C5—N5—H5B109.5
O14—Ce2—O34139.84 (11)H5A—N5—H5B109.5
O30—Ce2—O3480.98 (11)C5—N5—H5C109.5
O33—Ce2—O3457.46 (10)H5A—N5—H5C109.5
O22—Ce2—O2572.50 (11)H5B—N5—H5C109.5
O18—Ce2—O25140.83 (10)C6—N6—H6A109.5
O14—Ce2—O2570.33 (11)C6—N6—H6B109.5
O30—Ce2—O25130.01 (11)H6A—N6—H6B109.5
O33—Ce2—O25119.58 (11)C6—N6—H6C109.5
O34—Ce2—O2569.52 (10)H6A—N6—H6C109.5
O22—Ce2—O26128.77 (11)H6B—N6—H6C109.5
O18—Ce2—O26148.16 (11)C7—N7—H7A109.5
O14—Ce2—O2684.82 (11)C7—N7—H7B109.5
O30—Ce2—O2676.56 (11)H7A—N7—H7B109.5
O33—Ce2—O26122.45 (10)C7—N7—H7C109.5
O34—Ce2—O2672.66 (11)H7A—N7—H7C109.5
O25—Ce2—O2656.82 (10)H7B—N7—H7C109.5
O22—Ce2—O29146.07 (11)C7'—N7—H7'A108.9
O18—Ce2—O2976.10 (11)C7'—N7—H7'B109.8
O14—Ce2—O2969.20 (11)H7A—N7—H7'B109.9
O30—Ce2—O2957.04 (10)H7'A—N7—H7'B109.5
O33—Ce2—O29119.33 (11)C7'—N7—H7'C109.8
O34—Ce2—O29130.00 (11)H7'A—N7—H7'C109.5
O25—Ce2—O29116.08 (10)H7'B—N7—H7'C109.5
O26—Ce2—O2972.17 (11)C8—N8—H8A109.5
O22—Ce2—S979.08 (9)C8—N8—H8B109.5
O18—Ce2—S9104.70 (8)H8A—N8—H8B109.5
O14—Ce2—S9161.34 (8)C8—N8—H8C109.5
O30—Ce2—S972.12 (8)H8A—N8—H8C109.5
O33—Ce2—S928.70 (8)H8B—N8—H8C109.5
O34—Ce2—S928.80 (8)C8'—N8—H8'A108.7
O25—Ce2—S995.26 (8)C8'—N8—H8'B109.3
O26—Ce2—S997.34 (8)H8'A—N8—H8'B109.4
O29—Ce2—S9129.16 (7)H8'A—N8—H8'C109.5
O22—Ce2—S8100.48 (9)H8'B—N8—H8'C109.5
O18—Ce2—S8156.87 (8)C9—N9—H9A109.5
O14—Ce2—S875.35 (8)C9—N9—H9B109.5
O30—Ce2—S8103.93 (8)H9A—N9—H9B109.5
O33—Ce2—S8126.39 (8)C9—N9—H9C109.5
O34—Ce2—S868.93 (8)H9A—N9—H9C109.5
O25—Ce2—S828.15 (7)H9B—N9—H9C109.5
O26—Ce2—S828.68 (7)C10—N10—H10A109.5
O29—Ce2—S894.21 (8)C10—N10—H10B109.5
S9—Ce2—S897.71 (3)H10A—N10—H10B109.5
O22—Ce2—S7159.18 (9)C10—N10—H10C109.5
O18—Ce2—S781.44 (8)H10A—N10—H10C109.5
O14—Ce2—S797.72 (8)H10B—N10—H10C109.5
O30—Ce2—S728.46 (8)N1—C1—C2110.0 (4)
O33—Ce2—S794.55 (8)N1—C1—H1D109.7
O34—Ce2—S7105.95 (8)C2—C1—H1D109.7
O25—Ce2—S7127.93 (8)N1—C1—H1E109.7
O26—Ce2—S772.04 (8)C2—C1—H1E109.7
O29—Ce2—S728.58 (7)H1D—C1—H1E108.2
S9—Ce2—S7100.57 (3)N2—C2—C1110.2 (4)
S8—Ce2—S7100.19 (3)N2—C2—H2D109.6
O3—S1—O4113.5 (2)C1—C2—H2D109.6
O3—S1—O1110.0 (2)N2—C2—H2E109.6
O4—S1—O1110.2 (2)C1—C2—H2E109.6
O3—S1—O2110.7 (2)H2D—C2—H2E108.1
O4—S1—O2110.0 (2)N3—C3—C4113.0 (5)
O1—S1—O2101.92 (18)N3—C3—H3D109.0
O8—S2—O7111.6 (2)C4—C3—H3D109.0
O8—S2—O5111.1 (2)N3—C3—H3E109.0
O7—S2—O5111.1 (2)C4—C3—H3E109.0
O8—S2—O6110.8 (2)H3D—C3—H3E107.8
O7—S2—O6109.3 (2)N4—C4—C3112.6 (5)
O5—S2—O6102.56 (18)N4—C4—H4D109.1
O11—S3—O12111.4 (2)C3—C4—H4D109.1
O11—S3—O10110.9 (2)N4—C4—H4E109.1
O12—S3—O10111.6 (2)C3—C4—H4E109.1
O11—S3—O9109.6 (2)H4D—C4—H4E107.8
O12—S3—O9110.5 (2)C6—C5—N5111.4 (4)
O10—S3—O9102.60 (19)C6—C5—H5D109.3
O15—S4—O16111.1 (2)N5—C5—H5D109.3
O15—S4—O14109.6 (2)C6—C5—H5E109.3
O16—S4—O14110.2 (2)N5—C5—H5E109.3
O15—S4—O13110.5 (2)H5D—C5—H5E108.0
O16—S4—O13107.6 (2)C5—C6—N6111.1 (4)
O14—S4—O13107.80 (19)C5—C6—H6D109.4
O19—S5—O20112.2 (2)N6—C6—H6D109.4
O19—S5—O17108.2 (2)C5—C6—H6E109.4
O20—S5—O17109.7 (2)N6—C6—H6E109.4
O19—S5—O18110.22 (19)H6D—C6—H6E108.0
O20—S5—O18108.5 (2)C8—C7—N7109.7 (7)
O17—S5—O18107.99 (19)C8—C7—H7D109.7
O23—S6—O24111.7 (2)N7—C7—H7D109.7
O23—S6—O21109.8 (2)H7'C—C7—H7D111.8
O24—S6—O21109.7 (2)C8—C7—H7E109.7
O23—S6—O22109.7 (2)N7—C7—H7E109.7
O24—S6—O22107.9 (2)H7D—C7—H7E108.2
O21—S6—O22108.0 (2)C7—C8—N8108.4 (7)
O32—S7—O31112.6 (2)C7—C8—H8D110.0
O32—S7—O29111.0 (2)N8—C8—H8D110.0
O31—S7—O29110.8 (2)C7—C8—H8E110.0
O32—S7—O30110.9 (2)N8—C8—H8E110.0
O31—S7—O30110.0 (2)H8D—C8—H8E108.4
O29—S7—O30101.07 (18)C8'—C7'—N7108.2 (7)
O32—S7—Ce2123.95 (16)C8'—C7'—H7'D110.1
O31—S7—Ce2123.43 (17)N7—C7'—H7'D110.1
O29—S7—Ce251.51 (13)C8'—C7'—H7'E110.1
O30—S7—Ce249.56 (12)N7—C7'—H7'E110.1
O27—S8—O28111.7 (2)H7'D—C7'—H7'E108.4
O27—S8—O25112.3 (2)C7'—C8'—N8109.3 (7)
O28—S8—O25109.9 (2)C7'—C8'—H8'D109.8
O27—S8—O26111.7 (2)N8—C8'—H8'D109.8
O28—S8—O26108.5 (2)C7'—C8'—H8'E109.8
O25—S8—O26102.34 (18)N8—C8'—H8'E109.8
O27—S8—Ce2127.91 (15)H8'D—C8'—H8'E108.3
O28—S8—Ce2120.40 (15)N9—C9—C10113.8 (5)
O25—S8—Ce250.96 (12)N9—C9—H9D108.8
O26—S8—Ce251.41 (13)C10—C9—H9D108.8
O35—S9—O36111.8 (2)N9—C9—H9E108.8
O35—S9—O33111.2 (2)C10—C9—H9E108.8
O36—S9—O33110.7 (2)H9D—C9—H9E107.7
O35—S9—O34111.4 (2)N10—C10—C9111.2 (5)
O36—S9—O34109.7 (2)N10—C10—H10D109.4
O33—S9—O34101.66 (18)C9—C10—H10D109.4
O35—S9—Ce2127.53 (17)N10—C10—H10E109.4
O36—S9—Ce2120.65 (17)C9—C10—H10E109.4
O33—S9—Ce250.62 (12)H10D—C10—H10E108.0
O22—Ce2—S7—O32−176.1 (3)O2—Ce1—O9—S3−156.8 (2)
O18—Ce2—S7—O32167.5 (2)O5—Ce1—O9—S3−103.2 (2)
O14—Ce2—S7—O3287.3 (2)O6—Ce1—O9—S3−76.37 (19)
O30—Ce2—S7—O32−89.5 (3)O1—Ce1—O9—S3142.6 (2)
O33—Ce2—S7—O32−117.3 (2)O10—Ce1—O9—S30.33 (15)
O34—Ce2—S7—O32−59.9 (2)O11—S3—O10—Ce1117.4 (2)
O25—Ce2—S7—O3216.3 (2)O12—S3—O10—Ce1−117.80 (19)
O26—Ce2—S7—O325.4 (2)O9—S3—O10—Ce10.5 (2)
O29—Ce2—S7—O3290.9 (2)O17—Ce1—O10—S3−102.68 (17)
S9—Ce2—S7—O32−88.99 (19)O13—Ce1—O10—S3−136.97 (19)
S8—Ce2—S7—O3210.9 (2)O21—Ce1—O10—S3172.74 (18)
O22—Ce2—S7—O312.0 (3)O2—Ce1—O10—S328.0 (2)
O18—Ce2—S7—O31−14.4 (2)O5—Ce1—O10—S3116.56 (15)
O14—Ce2—S7—O31−94.6 (2)O6—Ce1—O10—S384.19 (16)
O30—Ce2—S7—O3188.5 (2)O9—Ce1—O10—S3−0.33 (15)
O33—Ce2—S7—O3160.8 (2)O1—Ce1—O10—S3−39.19 (18)
O34—Ce2—S7—O31118.2 (2)O15—S4—O13—Ce1−57.2 (5)
O25—Ce2—S7—O31−165.6 (2)O16—S4—O13—Ce1−178.6 (4)
O26—Ce2—S7—O31−176.5 (2)O14—S4—O13—Ce162.6 (5)
O29—Ce2—S7—O31−91.0 (2)O17—Ce1—O13—S4−112.6 (5)
S9—Ce2—S7—O3189.08 (18)O21—Ce1—O13—S4−32.0 (5)
S8—Ce2—S7—O31−170.99 (18)O2—Ce1—O13—S4112.9 (5)
O22—Ce2—S7—O2993.0 (3)O5—Ce1—O13—S439.7 (4)
O18—Ce2—S7—O2976.62 (18)O6—Ce1—O13—S446.6 (5)
O14—Ce2—S7—O29−3.57 (17)O9—Ce1—O13—S4168.0 (4)
O30—Ce2—S7—O29179.6 (2)O1—Ce1—O13—S4171.6 (5)
O33—Ce2—S7—O29151.77 (17)O10—Ce1—O13—S4−79.1 (5)
O34—Ce2—S7—O29−150.81 (17)O15—S4—O14—Ce2171.4 (3)
O25—Ce2—S7—O29−74.62 (18)O16—S4—O14—Ce2−66.0 (4)
O26—Ce2—S7—O29−85.54 (18)O13—S4—O14—Ce251.1 (4)
S9—Ce2—S7—O29−179.91 (16)O22—Ce2—O14—S4−92.0 (4)
S8—Ce2—S7—O29−79.99 (16)O18—Ce2—O14—S4−12.8 (4)
O22—Ce2—S7—O30−86.5 (3)O30—Ce2—O14—S469.1 (4)
O18—Ce2—S7—O30−102.94 (19)O33—Ce2—O14—S4−48.5 (5)
O14—Ce2—S7—O30176.87 (19)O34—Ce2—O14—S4−166.6 (3)
O33—Ce2—S7—O30−27.79 (18)O25—Ce2—O14—S4−165.1 (4)
O34—Ce2—S7—O3029.64 (19)O26—Ce2—O14—S4138.3 (4)
O25—Ce2—S7—O30105.83 (19)O29—Ce2—O14—S465.4 (4)
O26—Ce2—S7—O3094.90 (19)S9—Ce2—O14—S4−124.1 (3)
O29—Ce2—S7—O30−179.6 (2)S8—Ce2—O14—S4165.8 (4)
S9—Ce2—S7—O300.54 (17)S7—Ce2—O14—S467.2 (4)
S8—Ce2—S7—O30100.46 (17)O19—S5—O17—Ce1159.2 (5)
O22—Ce2—S8—O2782.8 (2)O20—S5—O17—Ce1−78.1 (6)
O18—Ce2—S8—O27168.2 (3)O18—S5—O17—Ce139.9 (6)
O14—Ce2—S8—O27164.9 (2)O13—Ce1—O17—S5−6.2 (5)
O30—Ce2—S8—O27−70.9 (2)O21—Ce1—O17—S5−95.3 (5)
O33—Ce2—S8—O273.7 (2)O2—Ce1—O17—S564.2 (6)
O34—Ce2—S8—O273.5 (2)O5—Ce1—O17—S5−51.6 (6)
O25—Ce2—S8—O2789.3 (3)O6—Ce1—O17—S5−158.1 (4)
O26—Ce2—S8—O27−88.7 (3)O9—Ce1—O17—S5136.2 (5)
O29—Ce2—S8—O27−127.9 (2)O1—Ce1—O17—S568.7 (5)
S9—Ce2—S8—O272.5 (2)O10—Ce1—O17—S5−169.4 (6)
S7—Ce2—S8—O27−99.7 (2)O19—S5—O18—Ce2−49.6 (4)
O22—Ce2—S8—O28−98.3 (2)O20—S5—O18—Ce2−172.9 (4)
O18—Ce2—S8—O28−12.9 (3)O17—S5—O18—Ce268.3 (4)
O14—Ce2—S8—O28−16.3 (2)O22—Ce2—O18—S5−23.5 (4)
O30—Ce2—S8—O28108.0 (2)O14—Ce2—O18—S5−110.2 (4)
O33—Ce2—S8—O28−177.4 (2)O30—Ce2—O18—S5122.9 (4)
O34—Ce2—S8—O28−177.6 (2)O33—Ce2—O18—S553.7 (4)
O25—Ce2—S8—O28−91.9 (2)O34—Ce2—O18—S546.7 (4)
O26—Ce2—S8—O2890.2 (2)O25—Ce2—O18—S5−66.3 (4)
O29—Ce2—S8—O2850.9 (2)O26—Ce2—O18—S5−175.9 (3)
S9—Ce2—S8—O28−178.60 (18)O29—Ce2—O18—S5179.2 (4)
S7—Ce2—S8—O2879.13 (18)S9—Ce2—O18—S551.8 (4)
O22—Ce2—S8—O25−6.48 (18)S8—Ce2—O18—S5−113.5 (4)
O18—Ce2—S8—O2579.0 (3)S7—Ce2—O18—S5150.6 (4)
O14—Ce2—S8—O2575.60 (18)O23—S6—O21—Ce1165.8 (5)
O30—Ce2—S8—O25−160.13 (17)O24—S6—O21—Ce1−71.0 (5)
O33—Ce2—S8—O25−85.55 (18)O22—S6—O21—Ce146.3 (5)
O34—Ce2—S8—O25−85.71 (18)O17—Ce1—O21—S6−1.6 (5)
O26—Ce2—S8—O25−177.9 (2)O13—Ce1—O21—S6−81.9 (5)
O29—Ce2—S8—O25142.81 (17)O2—Ce1—O21—S6−155.3 (4)
S9—Ce2—S8—O25−86.73 (16)O5—Ce1—O21—S6−154.6 (5)
S7—Ce2—S8—O25171.00 (16)O6—Ce1—O21—S6147.3 (5)
O22—Ce2—S8—O26171.46 (18)O9—Ce1—O21—S682.5 (5)
O18—Ce2—S8—O26−103.1 (3)O1—Ce1—O21—S6−33.1 (6)
O14—Ce2—S8—O26−106.46 (18)O10—Ce1—O21—S675.2 (5)
O30—Ce2—S8—O2617.81 (18)O23—S6—O22—Ce2−64.6 (6)
O33—Ce2—S8—O2692.39 (19)O24—S6—O22—Ce2173.5 (6)
O34—Ce2—S8—O2692.23 (18)O21—S6—O22—Ce255.1 (6)
O25—Ce2—S8—O26177.9 (2)O18—Ce2—O22—S6−101.9 (6)
O29—Ce2—S8—O26−39.25 (18)O14—Ce2—O22—S6−19.6 (6)
S9—Ce2—S8—O2691.21 (16)O30—Ce2—O22—S6−173.0 (5)
S7—Ce2—S8—O26−11.06 (16)O33—Ce2—O22—S6179.6 (6)
O22—Ce2—S9—O35−8.8 (2)O34—Ce2—O22—S6121.7 (6)
O18—Ce2—S9—O35−83.8 (2)O25—Ce2—O22—S651.3 (6)
O14—Ce2—S9—O3523.8 (4)O26—Ce2—O22—S659.8 (6)
O30—Ce2—S9—O35−167.4 (2)O29—Ce2—O22—S6−59.6 (7)
O33—Ce2—S9—O35−87.6 (3)S9—Ce2—O22—S6150.4 (6)
O34—Ce2—S9—O3588.4 (3)S8—Ce2—O22—S654.5 (6)
O25—Ce2—S9—O3562.2 (2)S7—Ce2—O22—S6−118.5 (5)
O26—Ce2—S9—O35119.4 (2)O27—S8—O25—Ce2−121.52 (18)
O29—Ce2—S9—O35−167.7 (2)O28—S8—O25—Ce2113.52 (18)
S8—Ce2—S9—O3590.4 (2)O26—S8—O25—Ce2−1.65 (18)
S7—Ce2—S9—O35−167.6 (2)O22—Ce2—O25—S8173.32 (18)
O22—Ce2—S9—O36171.3 (2)O18—Ce2—O25—S8−142.37 (16)
O18—Ce2—S9—O3696.3 (2)O14—Ce2—O25—S8−95.66 (17)
O14—Ce2—S9—O36−156.1 (3)O30—Ce2—O25—S825.5 (2)
O30—Ce2—S9—O3612.8 (2)O33—Ce2—O25—S8112.65 (16)
O33—Ce2—S9—O3692.5 (3)O34—Ce2—O25—S883.37 (16)
O34—Ce2—S9—O36−91.4 (3)O26—Ce2—O25—S81.18 (13)
O25—Ce2—S9—O36−117.7 (2)O29—Ce2—O25—S8−42.16 (18)
O26—Ce2—S9—O36−60.5 (2)S9—Ce2—O25—S896.52 (14)
O29—Ce2—S9—O3612.4 (2)S7—Ce2—O25—S8−11.26 (19)
S8—Ce2—S9—O36−89.45 (19)O27—S8—O26—Ce2121.93 (19)
S7—Ce2—S9—O3612.49 (19)O28—S8—O26—Ce2−114.53 (19)
O22—Ce2—S9—O3378.77 (19)O25—S8—O26—Ce21.64 (18)
O18—Ce2—S9—O333.79 (19)O22—Ce2—O26—S8−10.8 (2)
O14—Ce2—S9—O33111.4 (3)O18—Ce2—O26—S8133.51 (18)
O30—Ce2—S9—O33−79.77 (19)O14—Ce2—O26—S868.69 (16)
O34—Ce2—S9—O33176.1 (2)O30—Ce2—O26—S8−162.23 (18)
O25—Ce2—S9—O33149.79 (18)O33—Ce2—O26—S8−107.61 (17)
O26—Ce2—S9—O33−153.04 (18)O34—Ce2—O26—S8−77.64 (16)
O29—Ce2—S9—O33−80.09 (19)O25—Ce2—O26—S8−1.16 (13)
S8—Ce2—S9—O33178.02 (17)O29—Ce2—O26—S8138.48 (18)
S7—Ce2—S9—O33−80.03 (17)S9—Ce2—O26—S8−92.66 (15)
O22—Ce2—S9—O34−97.3 (2)S7—Ce2—O26—S8168.55 (17)
O18—Ce2—S9—O34−172.26 (19)O32—S7—O29—Ce2−117.34 (19)
O14—Ce2—S9—O34−64.7 (3)O31—S7—O29—Ce2116.83 (19)
O30—Ce2—S9—O34104.18 (19)O30—S7—O29—Ce20.34 (18)
O33—Ce2—S9—O34−176.1 (2)O22—Ce2—O29—S7−140.51 (18)
O25—Ce2—S9—O34−26.26 (19)O18—Ce2—O29—S7−97.68 (16)
O26—Ce2—S9—O3430.91 (19)O14—Ce2—O29—S7176.21 (18)
O29—Ce2—S9—O34103.9 (2)O30—Ce2—O29—S7−0.25 (13)
S8—Ce2—S9—O341.97 (18)O33—Ce2—O29—S7−32.74 (19)
S7—Ce2—S9—O34103.92 (18)O34—Ce2—O29—S737.8 (2)
O3—S1—O1—Ce1−114.73 (19)O25—Ce2—O29—S7122.14 (15)
O4—S1—O1—Ce1119.4 (2)O26—Ce2—O29—S785.02 (16)
O2—S1—O1—Ce12.73 (19)S9—Ce2—O29—S70.1 (2)
O17—Ce1—O1—S1−178.0 (2)S8—Ce2—O29—S7103.63 (14)
O13—Ce1—O1—S1−93.65 (18)O32—S7—O30—Ce2117.4 (2)
O21—Ce1—O1—S1−145.53 (19)O31—S7—O30—Ce2−117.43 (19)
O2—Ce1—O1—S1−2.00 (14)O29—S7—O30—Ce2−0.35 (19)
O5—Ce1—O1—S1−37.1 (2)O22—Ce2—O30—S7142.62 (18)
O6—Ce1—O1—S134.0 (2)O18—Ce2—O30—S774.59 (17)
O9—Ce1—O1—S183.97 (18)O14—Ce2—O30—S7−3.8 (2)
O10—Ce1—O1—S1117.99 (16)O33—Ce2—O30—S7150.25 (19)
O3—S1—O2—Ce1114.1 (2)O34—Ce2—O30—S7−151.22 (18)
O4—S1—O2—Ce1−119.7 (2)O25—Ce2—O30—S7−97.79 (18)
O1—S1—O2—Ce1−2.8 (2)O26—Ce2—O30—S7−77.02 (17)
O17—Ce1—O2—S17.1 (3)O29—Ce2—O30—S70.25 (13)
O13—Ce1—O2—S176.53 (17)S9—Ce2—O30—S7−179.45 (18)
O21—Ce1—O2—S1151.57 (17)S8—Ce2—O30—S7−85.70 (15)
O5—Ce1—O2—S1150.9 (2)O35—S9—O33—Ce2121.8 (2)
O6—Ce1—O2—S1−149.47 (19)O36—S9—O33—Ce2−113.3 (2)
O9—Ce1—O2—S1−71.83 (18)O34—S9—O33—Ce23.1 (2)
O1—Ce1—O2—S12.01 (14)O22—Ce2—O33—S9−94.56 (18)
O10—Ce1—O2—S1−95.84 (18)O18—Ce2—O33—S9−176.22 (19)
O8—S2—O5—Ce1−120.89 (18)O14—Ce2—O33—S9−139.8 (2)
O7—S2—O5—Ce1114.21 (18)O30—Ce2—O33—S990.05 (17)
O6—S2—O5—Ce1−2.42 (19)O34—Ce2—O33—S9−2.26 (14)
O17—Ce1—O5—S2−137.35 (18)O25—Ce2—O33—S9−35.2 (2)
O13—Ce1—O5—S2175.42 (18)O26—Ce2—O33—S932.2 (2)
O21—Ce1—O5—S2−91.54 (18)O29—Ce2—O33—S9118.82 (16)
O2—Ce1—O5—S288.03 (17)S8—Ce2—O33—S9−2.4 (2)
O6—Ce1—O5—S21.74 (13)S7—Ce2—O33—S9103.77 (15)
O9—Ce1—O5—S232.9 (2)O35—S9—O34—Ce2−121.6 (2)
O1—Ce1—O5—S2118.90 (16)O36—S9—O34—Ce2114.0 (2)
O10—Ce1—O5—S2−35.11 (19)O33—S9—O34—Ce2−3.1 (2)
O8—S2—O6—Ce1121.1 (2)O22—Ce2—O34—S978.38 (18)
O7—S2—O6—Ce1−115.55 (18)O18—Ce2—O34—S910.3 (3)
O5—S2—O6—Ce12.40 (18)O14—Ce2—O34—S9153.36 (15)
O17—Ce1—O6—S2133.14 (19)O30—Ce2—O34—S9−69.10 (17)
O13—Ce1—O6—S2−9.6 (2)O33—Ce2—O34—S92.25 (14)
O21—Ce1—O6—S271.09 (16)O25—Ce2—O34—S9152.0 (2)
O2—Ce1—O6—S2−78.02 (16)O26—Ce2—O34—S9−147.74 (19)
O5—Ce1—O6—S2−1.70 (13)O29—Ce2—O34—S9−100.64 (18)
O9—Ce1—O6—S2−156.35 (18)S8—Ce2—O34—S9−177.90 (19)
O1—Ce1—O6—S2−108.65 (17)S7—Ce2—O34—S9−82.90 (16)
O10—Ce1—O6—S2144.67 (18)N1—C1—C2—N2169.9 (4)
O11—S3—O9—Ce1−118.3 (2)N3—C3—C4—N4−73.2 (6)
O12—S3—O9—Ce1118.6 (2)N5—C5—C6—N6−172.9 (4)
O10—S3—O9—Ce1−0.5 (2)N7—C7—C8—N8−179.3 (8)
O17—Ce1—O9—S370.7 (2)N7—C7'—C8'—N8176.4 (8)
O13—Ce1—O9—S3146.27 (17)N9—C9—C10—N1084.2 (6)
O21—Ce1—O9—S3−8.1 (3)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O1w—H11···O24i0.842.022.803 (5)156
O1w—H12···O280.841.962.786 (5)169
O2w—H21···O16ii0.841.942.754 (5)162
O2w—H22···O7iii0.841.992.828 (5)173
O3w—H31···O9iv0.842.473.153 (7)139
N1—H1a···O10i0.862.112.899 (5)151
N1—H1b···O270.862.282.991 (6)141
N1—H1c···O1w0.862.092.891 (6)154
N2—H2a···O28ii0.862.022.863 (5)165
N2—H2b···O8iii0.862.162.769 (5)128
N2—H2c···O29ii0.862.012.849 (5)163
N3—H3a···O1w0.862.102.863 (7)148
N3—H3b···O3w0.861.932.753 (8)160
N3—H3c···O26ii0.862.203.048 (7)167
N4—H4a···O2wv0.861.952.760 (7)157
N4—H4b···O36ii0.862.162.843 (6)136
N4—H4c···O6iv0.862.373.119 (6)145
N5—H5a···O10.862.273.029 (5)148
N5—H5b···O20vi0.862.092.794 (5)138
N5—H5c···O160.862.002.763 (5)147
N6—H6a···O12vii0.862.212.837 (6)130
N6—H6b···O1vi0.862.463.241 (5)152
N6—H6c···O310.861.992.826 (6)165
N7—H7'a···O150.862.272.935 (6)135
N8—H8a···O34v0.862.212.957 (6)145
N8—H8b···O23iv0.862.232.840 (6)128
N9—H9a···O350.862.402.992 (6)126
N9—H9b···O240.862.102.846 (5)145
N9—H9c···O190.862.062.895 (5)165
N10—H10a···O110.862.042.879 (6)165
N10—H10b···O30viii0.862.393.176 (6)153
N10—H10c···O190.862.052.884 (6)164

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x, −y+2, −z+1; (iii) x−1, y+1, z; (iv) −x+1, −y+1, −z+1; (v) x+1, y, z; (vi) −x+1, −y+1, −z+2; (vii) x, y+1, z; (viii) −x, −y+1, −z+2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2776).

References

  • Barbour, L. J. (2001). J. Supramol. Chem.1, 189–191.
  • Bruker (2009). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
  • Fu, Y.-L., Ren, J.-L. & Wu, Z.-W. (2006). J. Mol. Struct.788, 190–193.
  • Fu, Y.-L., Ren, J.-L., Xu, Z.-W. & Ng, S. W. (2005). Acta Cryst. E61, m2738–m2740.
  • Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Westrip, S. P. (2010). J. Appl. Cryst.43 Submitted.

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