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Acta Crystallogr Sect E Struct Rep Online. 2008 February 1; 64(Pt 2): m399–m400.
Published online 2008 January 23. doi:  10.1107/S1600536807066597
PMCID: PMC2960413

catena-Poly[[tetra­kis(hexa­methyl­phospho­ramide-κO)bis­(nitrato-κ2 O,O′)lanthanum(III)] [silver(I)-di-μ2-sulfido-tungstate(VI)-di-μ2-sulfido]]

Abstract

Hexamethyl­phospho­ramide (hmp), tetra­thio­tungstate(VI), silver sulfide and lanthanum(III) nitrate are self-assembled to form discrete cations one-dimensional poylmeric anionic chains [AgWS4]nn in the title compound, {[La(NO3)2(C6H18N3OP)4][AgWS4]}n. The central La atom in the cation is coordinated by eight O atoms from two nitrate and four hmp ligands. Together with the two nitrate ligands, the cation is monovalent, which leads to the anionic chain having a monovalent repeat unit. The polymeric anionic chain with W(...)Ag(...)W and Ag(...)W(...)Ag angles of 165.94 (3) and 155.894 (14)° presents a distorted linear configuration. Five N atoms, 18 C atoms and their attached H atoms are disordered equally over two positions.

Related literature

The one-dimensional W/S/Ag anionic polymers {(γ-Me­PyH)[WS4Ag]}n (Lang et al., 1993 [triangle]) and {[NH3C(CH2OH)3][WS4Ag](2DMF)}n (Huang et al., 1997 [triangle]) have ideal and nearly linear configurations, respectively. Two analogs of the title compound, {[Eu(hmp)4(NO3)2][WS4Ag]}n (Zhang, Qian et al., 2007 [triangle]) and {[Y(hmp)4(NO3)2][WS4Ag]}n (Zhang, Cao et al., 2007 [triangle]), have similar wave-like chains. {[Nd(dmf)8][W4S16Ag5]}n (Huang et al., 1996 [triangle]) has solvent-coordinated rare-earth cations leading to an anionic chain with a trivalent repeat unit. For a review of polymeric Mo(W)/S/Ag(Cu) clusters, see: Niu et al. (2004 [triangle]). For a review of the third-order non-linear optical properties of Mo(W)/S/Ag(Cu) clusters, see: Zhang, Song et al. (2007 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0m399-scheme1.jpg

Experimental

Crystal data

  • [La(NO3)2(C6H18N3OP)4][AgWS4]
  • M r = 1399.71
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0m399-efi1.jpg
  • a = 15.883 (2) Å
  • b = 30.070 (4) Å
  • c = 11.5283 (15) Å
  • β = 90.502 (3)°
  • V = 5505.8 (12) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 3.52 mm−1
  • T = 295 (2) K
  • 0.50 × 0.42 × 0.38 mm

Data collection

  • Rigaku Mercury diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.18, T max = 0.26
  • 50056 measured reflections
  • 10031 independent reflections
  • 8984 reflections with I > 2σ(I)
  • R int = 0.049

Refinement

  • R[F 2 > 2σ(F 2)] = 0.059
  • wR(F 2) = 0.137
  • S = 1.15
  • 10031 reflections
  • 462 parameters
  • 32 restraints
  • H-atom parameters constrained
  • Δρmax = 1.07 e Å−3
  • Δρmin = −1.90 e Å−3

Data collection: CrystalClear (Rigaku, 2000 [triangle]); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2002 [triangle]); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 [triangle]); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807066597/hg2364sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807066597/hg2364Isup2.hkl

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

Acknowledgments

This work is supported by the National Natural Science Foundation of China (No. 50472048) and the Program for New Century Excellent Talents in Universities (NCET-05-0499).

supplementary crystallographic information

Comment

One-dimensional Mo(W)/S/Ag anionic polymers have attracted much attention for their configurational isomerism (Niu et al., 2004) and unique properties as functional materials, such as third-order nonlinear optical (NLO) materials (Zhang, Song et al., 2007, and references therein). Different solvent-coordinated rare-earth cations proved effective to obtain various configurations of anionic chains (Niu et al., 2004). The title compound {[La(hmp)4(NO3)2][WS4Ag]}n (hmp = hexamethylphosphoramide) with a wave-like anionic chain was prepared by following such route using La(III)-hmp complex as counterion.

The cation in the title compound, where La3- is coordinated by eight O atoms from two nitrate and four hmp ligands, has the same structure as those in the isostructural {[Eu(hmp)4(NO3)2][WS4Ag]}n (Zhang, Qian et al., 2007) and {[Y(hmp)4(NO3)2][WS4Ag]}n (Zhang, Cao et al., 2007). Parts of dimethylamine groups from hmp ligands have large librations, which gives rise to some disordered C and N atoms. In possession of two nitrate ligands, the cation in the title compound is univalent (Fig. 1), which leads to an anionic chain with a univalent repeat unit, unlike other solvent-coordinated rare-earth cations (Niu et al., 2004, and references therein), which are trivalent and induce trivalent repeat units. For example, [Nd(dmf)8]3+ induces an anionic chain with a trivalent repeat unit [W4S16Ag5]3- (Huang et al., 1996).

As illustrated in Fig. 2, the anionic chain in the title compound has a distorted linear configuration with W—Ag—W and Ag—W—Ag angles of 165.94 (3) and 155.894 (14) °, unlike those in {(γ-MePyH)[WS4Ag]}n (Lang et al. 1993) and {[NH3C(CH2OH)3][WS4Ag](2DMF)}n (Huang et al., 1997), showing an ideal linear chain and a nearly linear chain, respectively. This fact suggests that cations with bigger bulk lead to more distorted anionic chains.

Similar angles for W—Ag—W and Ag—W—Ag are found in another two distorted linear chains in {[Eu(hmp)4(NO3)2][WS4Ag]}n (Zhang, Qian et al., 2007) and {[Y(hmp)4(NO3)2][WS4Ag]}n (Zhang, Cao et al., 2007), implying that different rare earth cations with the same coordination environments will result in the same anionic structures.

Experimental

1 mmol A g2S was added to a solution of [NH4]2WS4 (2 mmol in 30 mL h mp) with thorough stirring for 9 h. The solution underwent an additional stir for one minute after 1 mmol La(NO3)3.6H2O was added. After filtration the orange-red filtrate was carefully laid on the surface with 30 ml i-PrOH. Orange-red block crystals were obtained after ten days. Yield: 1.302 g in pure form, 46.5% (based on W). Analysis calculated for C24H72AgLaN14O10P4S4W: C 20.59, H 5.18, N 14.01%; found: C 20.57, H 5.15, N 14.03%. IR: ν, cm-1, 482.9 m, 446.8 s (W-µ2-S).

Refinement

H atoms were positioned geometrically and refined with riding model, with Uiso = 1.5Ueq for methyl H atoms and 0.96 Å for C—H bonds. Parts of dimethylamine groups from hmp ligands have large librations, resulting in some disordered C and N atoms. The occupancy for the disordered C and N atoms were all refined to be 0.5:0.5.

Figures

Fig. 1.
The molecular structure of the cation in the title compound, with atom labels and 30% probability displacement ellipsoids. All H atoms have been omitted.
Fig. 2.
The molecular structure of a portion of the anionic chain in the title compound, with atom labels and 30% probability displacement ellipsoids. (symmetry codes: A x, -y + 1/2, z + 1/2; AA and B x, y, z + 1; AB and C x, -y + 1/2, z + 1.5).

Crystal data

[La(NO3)2(C6H18N3OP)4][AgWS4]F000 = 2784
Mr = 1399.71Dx = 1.689 Mg m3
Monoclinic, P21/cMo Kα radiation λ = 0.71070 Å
Hall symbol: -P 2ybcCell parameters from 19164 reflections
a = 15.883 (2) Åθ = 3.1–25.3º
b = 30.070 (4) ŵ = 3.52 mm1
c = 11.5283 (15) ÅT = 295 (2) K
β = 90.502 (3)ºBlock, orange–red
V = 5505.8 (12) Å30.50 × 0.42 × 0.38 mm
Z = 4

Data collection

Rigaku Mercury diffractometer10031 independent reflections
Radiation source: fine-focus sealed tube8984 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.049
Detector resolution: 7.31 pixels mm-1θmax = 25.4º
T = 295(2) Kθmin = 3.2º
ω scansh = −18→19
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)k = −36→35
Tmin = 0.18, Tmax = 0.26l = −13→13
50056 measured reflections

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.059H-atom parameters constrained
wR(F2) = 0.137  w = 1/[σ2(Fo2) + (0.0507P)2 + 23.8085P] where P = (Fo2 + 2Fc2)/3
S = 1.15(Δ/σ)max = 0.003
10031 reflectionsΔρmax = 1.07 e Å3
462 parametersΔρmin = −1.90 e Å3
32 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods

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.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

xyzUiso*/UeqOcc. (<1)
W10.21336 (2)0.229586 (11)0.47656 (3)0.04668 (12)
La10.73680 (3)0.416357 (14)0.34214 (4)0.04265 (13)
Ag10.21350 (6)0.23828 (3)0.21889 (6)0.0770 (2)
S10.09980 (16)0.21700 (11)0.3727 (2)0.0748 (7)
S20.32665 (16)0.21611 (11)0.3745 (2)0.0768 (8)
S30.21282 (17)0.18414 (8)0.6261 (2)0.0658 (6)
S40.21416 (19)0.30013 (8)0.5270 (2)0.0727 (7)
P10.6905 (2)0.52880 (9)0.1910 (2)0.0736 (7)
P20.51582 (13)0.36353 (8)0.3300 (2)0.0551 (5)
P30.96668 (14)0.40731 (9)0.2457 (3)0.0683 (7)
P40.7965 (2)0.34795 (10)0.6129 (2)0.0765 (8)
O10.7508 (6)0.3388 (3)0.2430 (8)0.0964 (14)
O20.7254 (6)0.3932 (3)0.1255 (7)0.0964 (14)
O30.7253 (6)0.3263 (3)0.0613 (7)0.0964 (14)
O40.7954 (5)0.4739 (3)0.4923 (7)0.0887 (13)
O50.6637 (5)0.4594 (3)0.5105 (7)0.0887 (13)
O60.7271 (5)0.4970 (3)0.6433 (7)0.0887 (13)
O70.7072 (4)0.48424 (18)0.2374 (6)0.0679 (17)
O80.5952 (3)0.38996 (19)0.3351 (5)0.0573 (14)
O90.8827 (3)0.4191 (2)0.2935 (6)0.0667 (17)
O100.7731 (4)0.3691 (2)0.5022 (6)0.0700 (17)
N10.7346 (6)0.3524 (4)0.1427 (9)0.090 (3)
N20.7295 (7)0.4776 (3)0.5514 (8)0.081 (3)
N30.7556 (9)0.5664 (3)0.2417 (13)0.128 (4)
N40.7075 (8)0.5308 (4)0.0529 (8)0.111 (4)
N50.5964 (9)0.5450 (4)0.2264 (11)0.147 (6)
N60.5012 (5)0.3417 (3)0.2041 (8)0.083 (3)
N70.5174 (5)0.3229 (3)0.4237 (8)0.081 (2)
N80.4369 (4)0.3963 (3)0.3588 (7)0.069 (2)
N90.9891 (7)0.3543 (5)0.2371 (16)0.149 (6)
N101.0346 (11)0.4398 (7)0.2820 (17)0.086 (4)*0.50
N10'1.0389 (12)0.4211 (6)0.3363 (17)0.086 (4)*0.50
N110.9609 (14)0.4042 (7)0.103 (2)0.093 (4)*0.50
N11'0.9732 (14)0.4250 (7)0.1080 (19)0.093 (4)*0.50
N120.8974 (14)0.3616 (7)0.642 (2)0.102 (5)*0.50
N12'0.8564 (14)0.3715 (8)0.700 (2)0.102 (5)*0.50
N130.7778 (12)0.2976 (6)0.6083 (16)0.086 (4)*0.50
N13'0.8541 (12)0.3015 (6)0.5863 (15)0.086 (4)*0.50
N140.7403 (14)0.3730 (8)0.7122 (19)0.108 (5)*0.50
N14'0.7166 (14)0.3280 (8)0.684 (2)0.108 (5)*0.50
C10.8422 (17)0.5726 (16)0.204 (4)0.200 (10)*0.50
H1A0.86730.59670.24710.300*0.50
H1B0.84290.57930.12310.300*0.50
H1C0.87360.54580.21880.300*0.50
C1'0.780 (3)0.576 (2)0.358 (3)0.200 (10)*0.50
H1'A0.82000.59990.35820.300*0.50
H1'B0.80490.55010.39210.300*0.50
H1'C0.73120.58460.40110.300*0.50
C20.745 (3)0.586 (2)0.354 (3)0.200 (10)*0.50
H2A0.78920.60720.36830.300*0.50
H2B0.74780.56310.41250.300*0.50
H2C0.69150.60060.35780.300*0.50
C2'0.716 (3)0.6095 (10)0.220 (4)0.200 (10)*0.50
H2'A0.75070.63280.25100.300*0.50
H2'B0.66180.61030.25730.300*0.50
H2'C0.70830.61370.13820.300*0.50
C30.7228 (19)0.4955 (9)−0.025 (2)0.116 (7)*0.50
H3A0.73130.5072−0.10170.175*0.50
H3B0.67520.4758−0.02640.175*0.50
H3C0.77210.4794−0.00080.175*0.50
C3'0.6771 (19)0.4955 (9)−0.018 (3)0.116 (7)*0.50
H3'A0.69170.5011−0.09750.175*0.50
H3'B0.61700.4936−0.01170.175*0.50
H3'C0.70200.46800.00680.175*0.50
C40.730 (3)0.5756 (9)0.013 (4)0.154 (10)*0.50
H4A0.73980.5749−0.06920.231*0.50
H4B0.78020.58530.05230.231*0.50
H4C0.68490.59580.02920.231*0.50
C4'0.701 (3)0.5686 (10)−0.027 (3)0.154 (10)*0.50
H4'A0.71430.5591−0.10430.231*0.50
H4'B0.73900.5916−0.00340.231*0.50
H4'C0.64410.5799−0.02650.231*0.50
C50.546 (2)0.5814 (10)0.178 (3)0.143 (9)*0.50
H5A0.49190.58180.21430.214*0.50
H5B0.53900.57710.09610.214*0.50
H5C0.57420.60910.19210.214*0.50
C5'0.588 (2)0.5938 (7)0.224 (3)0.143 (9)*0.50
H5'A0.53230.60210.24550.214*0.50
H5'B0.59990.60450.14740.214*0.50
H5'C0.62800.60660.27800.214*0.50
C60.533 (2)0.5177 (13)0.282 (4)0.122 (7)*0.50
H6A0.48290.53510.29360.184*0.50
H6B0.55390.50730.35510.184*0.50
H6C0.51970.49280.23300.184*0.50
C6'0.532 (2)0.5122 (13)0.250 (4)0.122 (7)*0.50
H6'A0.48070.52680.26870.184*0.50
H6'B0.55010.49380.31350.184*0.50
H6'C0.52400.49400.18200.184*0.50
C70.5137 (9)0.3685 (6)0.1023 (12)0.134 (6)
H7A0.50300.35090.03430.201*
H7B0.57070.37910.10120.201*
H7C0.47580.39340.10350.201*
C80.4660 (10)0.2969 (5)0.1868 (15)0.145 (7)
H8A0.46300.29040.10540.218*
H8B0.41050.29560.21910.218*
H8C0.50150.27540.22480.218*
C90.4528 (8)0.3133 (5)0.5070 (11)0.106 (4)
H9A0.46870.28780.55200.159*
H9B0.40070.30750.46710.159*
H9C0.44590.33840.55760.159*
C100.5850 (8)0.2909 (4)0.4234 (13)0.112 (4)
H10A0.57620.26950.48390.167*
H10B0.63760.30590.43640.167*
H10C0.58610.27600.34980.167*
C110.4436 (7)0.4301 (4)0.4476 (12)0.106 (4)
H11A0.39140.44610.45230.159*
H11B0.48810.45040.42840.159*
H11C0.45580.41640.52100.159*
C120.3513 (6)0.3858 (5)0.3196 (11)0.105 (4)
H12A0.31350.40870.34470.157*
H12B0.33420.35780.35200.157*
H12C0.34990.38400.23650.157*
C130.961 (2)0.3356 (13)0.107 (3)0.141 (9)*0.50
H13A0.97340.30440.10130.211*0.50
H13B0.99080.35150.04820.211*0.50
H13C0.90120.34000.09570.211*0.50
C13'0.960 (2)0.3183 (12)0.184 (3)0.141 (9)*0.50
H13D0.95080.29520.23940.211*0.50
H13E0.99990.30850.12730.211*0.50
H13F0.90760.32530.14530.211*0.50
C140.989 (3)0.3235 (16)0.330 (4)0.179 (13)*0.50
H14A1.00610.33830.40040.269*0.50
H14B1.02740.29970.31420.269*0.50
H14C0.93330.31170.33970.269*0.50
C14'1.035 (3)0.3434 (16)0.359 (4)0.179 (13)*0.50
H14D1.03280.36920.40810.269*0.50
H14E1.09200.33520.34620.269*0.50
H14F1.00580.31930.39660.269*0.50
C151.1257 (14)0.4301 (11)0.270 (3)0.129 (7)*0.50
H15A1.15790.45490.29810.194*0.50
H15B1.13830.42510.18960.194*0.50
H15C1.13980.40410.31400.194*0.50
C15'1.1219 (16)0.3990 (11)0.344 (3)0.129 (7)*0.50
H15D1.15460.41240.40540.194*0.50
H15E1.15090.40230.27200.194*0.50
H15F1.11420.36800.36060.194*0.50
C161.0160 (19)0.4804 (8)0.340 (2)0.114 (7)*0.50
H16A1.06740.49610.35680.170*0.50
H16B0.98780.47400.41190.170*0.50
H16C0.98020.49840.29220.170*0.50
C16'1.0289 (19)0.4639 (8)0.398 (2)0.114 (7)*0.50
H16D1.07550.46820.45050.170*0.50
H16E0.97730.46360.44080.170*0.50
H16F1.02740.48780.34270.170*0.50
C171.021 (2)0.3844 (14)0.026 (3)0.163 (11)*0.50
H17A1.00210.3880−0.05250.245*0.50
H17B1.02640.35330.04380.245*0.50
H17C1.07460.39870.03640.245*0.50
C17'1.048 (2)0.4179 (14)0.039 (3)0.163 (11)*0.50
H17D1.04040.4306−0.03670.245*0.50
H17E1.05890.38660.03160.245*0.50
H17F1.09580.43190.07640.245*0.50
C180.910 (2)0.4375 (10)0.042 (3)0.132 (8)*0.50
H18A0.91260.4323−0.04000.197*0.50
H18B0.93120.46660.05920.197*0.50
H18C0.85250.43530.06680.197*0.50
C18'0.918 (2)0.4601 (10)0.070 (3)0.132 (8)*0.50
H18D0.92850.4669−0.01000.197*0.50
H18E0.92730.48620.11640.197*0.50
H18F0.86020.45070.07790.197*0.50
C190.946 (3)0.3996 (11)0.610 (4)0.160 (10)*0.50
H19A1.00200.39670.64190.240*0.50
H19B0.92030.42590.64020.240*0.50
H19C0.94910.40150.52710.240*0.50
C19'0.833 (2)0.3884 (13)0.811 (3)0.160 (10)*0.50
H19D0.88140.40200.84700.240*0.50
H19E0.81370.36440.85840.240*0.50
H19F0.78940.41000.80130.240*0.50
C200.954 (2)0.3283 (12)0.689 (3)0.165 (11)*0.50
H20A1.00890.34110.70020.247*0.50
H20B0.95780.30370.63600.247*0.50
H20C0.93300.31800.76200.247*0.50
C20'0.917 (3)0.4032 (12)0.661 (4)0.165 (11)*0.50
H20D0.94740.41490.72620.247*0.50
H20E0.88840.42690.62110.247*0.50
H20F0.95530.38890.60890.247*0.50
C210.8011 (16)0.2713 (9)0.510 (2)0.092 (5)*0.50
H21A0.78450.24090.52200.138*0.50
H21B0.86100.27260.49980.138*0.50
H21C0.77350.28260.44150.138*0.50
C21'0.8366 (17)0.2732 (9)0.488 (2)0.092 (5)*0.50
H21D0.87600.24900.48780.138*0.50
H21E0.84160.29000.41810.138*0.50
H21F0.78040.26170.49430.138*0.50
C220.762 (3)0.2714 (13)0.712 (3)0.171 (11)*0.50
H22A0.75280.24080.69120.256*0.50
H22B0.71230.28260.75000.256*0.50
H22C0.80900.27350.76430.256*0.50
C22'0.920 (2)0.2833 (14)0.661 (3)0.171 (11)*0.50
H22D0.94250.25680.62700.256*0.50
H22E0.89680.27630.73580.256*0.50
H22F0.96410.30490.67090.256*0.50
C230.749 (3)0.3828 (14)0.834 (2)0.167 (11)*0.50
H23A0.69900.39770.86030.250*0.50
H23B0.79680.40150.84660.250*0.50
H23C0.75590.35560.87650.250*0.50
C23'0.710 (3)0.2848 (11)0.740 (3)0.167 (11)*0.50
H23D0.65580.28170.77370.250*0.50
H23E0.75280.28250.79950.250*0.50
H23G0.71880.26170.68360.250*0.50
C240.6495 (17)0.3780 (13)0.699 (4)0.140 (9)*0.50
H24A0.62740.39300.76530.210*0.50
H24D0.62400.34920.69190.210*0.50
H24B0.63740.39500.63020.210*0.50
C24'0.650 (2)0.3596 (12)0.708 (4)0.140 (9)*0.50
H24C0.60560.34490.74910.210*0.50
H24G0.62770.37120.63590.210*0.50
H24E0.67180.38360.75370.210*0.50

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
W10.0533 (2)0.0542 (2)0.03251 (17)−0.00338 (15)−0.00248 (13)0.00355 (13)
La10.0354 (2)0.0342 (2)0.0583 (3)−0.00025 (17)−0.00119 (19)0.00055 (19)
Ag10.1111 (7)0.0849 (6)0.0349 (4)0.0012 (5)−0.0010 (4)0.0025 (3)
S10.0606 (14)0.112 (2)0.0514 (13)−0.0217 (14)−0.0098 (11)0.0068 (13)
S20.0584 (14)0.121 (2)0.0511 (13)0.0100 (14)0.0028 (11)0.0030 (14)
S30.0926 (17)0.0554 (13)0.0492 (12)0.0010 (12)−0.0029 (12)0.0122 (10)
S40.111 (2)0.0519 (13)0.0558 (13)−0.0072 (13)0.0009 (13)0.0083 (11)
P10.102 (2)0.0526 (14)0.0664 (16)0.0230 (14)0.0073 (14)0.0130 (12)
P20.0386 (10)0.0595 (13)0.0672 (14)−0.0086 (10)−0.0023 (10)−0.0078 (11)
P30.0387 (11)0.0731 (16)0.0931 (19)0.0042 (11)0.0102 (12)0.0047 (14)
P40.098 (2)0.0694 (17)0.0616 (15)0.0005 (15)−0.0249 (14)0.0056 (13)
O10.130 (4)0.073 (3)0.087 (3)0.012 (3)−0.001 (3)−0.018 (2)
O20.130 (4)0.073 (3)0.087 (3)0.012 (3)−0.001 (3)−0.018 (2)
O30.130 (4)0.073 (3)0.087 (3)0.012 (3)−0.001 (3)−0.018 (2)
O40.082 (3)0.087 (3)0.096 (3)0.007 (2)−0.011 (2)−0.037 (2)
O50.082 (3)0.087 (3)0.096 (3)0.007 (2)−0.011 (2)−0.037 (2)
O60.082 (3)0.087 (3)0.096 (3)0.007 (2)−0.011 (2)−0.037 (2)
O70.078 (4)0.037 (3)0.088 (5)0.002 (3)−0.006 (3)0.013 (3)
O80.039 (3)0.060 (4)0.072 (4)−0.010 (3)0.002 (3)−0.003 (3)
O90.036 (3)0.064 (4)0.100 (5)0.002 (3)0.011 (3)−0.007 (3)
O100.078 (4)0.056 (4)0.076 (4)0.002 (3)−0.017 (3)0.016 (3)
N10.087 (6)0.094 (7)0.090 (7)0.009 (5)0.015 (5)−0.057 (6)
N20.110 (7)0.058 (5)0.073 (5)0.025 (5)−0.031 (5)−0.028 (4)
N30.179 (12)0.041 (5)0.164 (11)−0.014 (6)0.039 (10)0.003 (6)
N40.171 (11)0.089 (7)0.073 (6)0.031 (7)0.013 (7)0.027 (5)
N50.178 (12)0.129 (10)0.134 (10)0.096 (10)0.058 (9)0.074 (8)
N60.068 (5)0.108 (7)0.074 (6)−0.004 (5)−0.012 (4)−0.028 (5)
N70.063 (5)0.074 (6)0.105 (7)−0.009 (4)0.009 (5)0.015 (5)
N80.039 (4)0.087 (6)0.082 (5)−0.004 (4)0.002 (4)−0.014 (5)
N90.076 (7)0.143 (12)0.229 (17)0.000 (7)0.029 (9)−0.079 (12)
C70.116 (11)0.203 (18)0.082 (9)0.012 (11)−0.036 (8)0.002 (10)
C80.135 (13)0.120 (12)0.179 (16)−0.018 (10)−0.036 (12)−0.078 (12)
C90.101 (9)0.116 (11)0.100 (9)−0.023 (8)0.011 (7)0.015 (8)
C100.107 (10)0.084 (9)0.145 (13)0.007 (8)0.025 (9)0.027 (8)
C110.074 (7)0.113 (10)0.132 (11)0.005 (7)0.015 (7)−0.040 (9)
C120.049 (6)0.149 (12)0.116 (10)0.012 (7)−0.013 (6)0.005 (9)

Geometric parameters (Å, °)

W1—S12.189 (2)C3'—H3'C0.9600
W1—S22.196 (3)C4—H4A0.9600
W1—S42.199 (3)C4—H4B0.9600
W1—S32.200 (2)C4—H4C0.9600
W1—Ag1i2.9561 (8)C4'—H4'A0.9600
W1—Ag12.9819 (8)C4'—H4'B0.9600
La1—O82.386 (5)C4'—H4'C0.9600
La1—O92.390 (5)C5—H5A0.9600
La1—O102.396 (6)C5—H5B0.9600
La1—O72.416 (5)C5—H5C0.9600
La1—O22.598 (8)C5'—H5'A0.9600
La1—O12.608 (7)C5'—H5'B0.9600
La1—O52.613 (7)C5'—H5'C0.9600
La1—O42.614 (7)C6—H6A0.9600
La1—N12.998 (8)C6—H6B0.9600
La1—N23.038 (8)C6—H6C0.9600
Ag1—S4ii2.496 (2)C6'—H6'A0.9600
Ag1—S3ii2.566 (3)C6'—H6'B0.9600
Ag1—S22.614 (3)C6'—H6'C0.9600
Ag1—S12.621 (3)C7—H7A0.9600
Ag1—W1ii2.9561 (8)C7—H7B0.9600
S3—Ag1i2.566 (3)C7—H7C0.9600
S4—Ag1i2.496 (2)C8—H8A0.9600
P1—O71.466 (6)C8—H8B0.9600
P1—N41.618 (10)C8—H8C0.9600
P1—N51.627 (12)C9—H9A0.9600
P1—N31.638 (13)C9—H9B0.9600
P2—O81.491 (5)C9—H9C0.9600
P2—N61.608 (8)C10—H10A0.9600
P2—N81.630 (8)C10—H10B0.9600
P2—N71.631 (9)C10—H10C0.9600
P3—O91.491 (6)C11—H11A0.9600
P3—N101.511 (19)C11—H11B0.9600
P3—N10'1.599 (19)C11—H11C0.9600
P3—N91.638 (15)C12—H12A0.9600
P3—N111.65 (2)C12—H12B0.9600
P3—N11'1.68 (2)C12—H12C0.9600
P4—O101.470 (6)C13—H13A0.9600
P4—N131.544 (19)C13—H13B0.9600
P4—N12'1.55 (2)C13—H13C0.9600
P4—N14'1.63 (2)C13'—H13D0.9600
P4—N141.64 (2)C13'—H13E0.9600
P4—N121.68 (2)C13'—H13F0.9600
P4—N13'1.699 (19)C14—H14A0.9600
O1—N11.251 (12)C14—H14B0.9600
O2—N11.252 (12)C14—H14C0.9600
O3—N11.231 (10)C14'—H14D0.9600
O4—N21.260 (11)C14'—H14E0.9600
O5—N21.267 (11)C14'—H14F0.9600
O6—N21.211 (10)C15—H15A0.9600
N3—C1'1.418 (19)C15—H15B0.9600
N3—C21.437 (19)C15—H15C0.9600
N3—C11.456 (19)C15'—H15D0.9600
N3—C2'1.462 (19)C15'—H15E0.9600
N4—C31.416 (17)C15'—H15F0.9600
N4—C3'1.423 (17)C16—H16A0.9600
N4—C41.467 (18)C16—H16B0.9600
N4—C4'1.468 (18)C16—H16C0.9600
N5—C6'1.444 (18)C16'—H16D0.9600
N5—C61.453 (18)C16'—H16E0.9600
N5—C51.462 (18)C16'—H16F0.9600
N5—C5'1.473 (18)C17—H17A0.9600
N6—C71.439 (16)C17—H17B0.9600
N6—C81.473 (16)C17—H17C0.9600
N7—C101.440 (14)C17'—H17D0.9600
N7—C91.441 (14)C17'—H17E0.9600
N8—C111.447 (14)C17'—H17F0.9600
N8—C121.464 (12)C18—H18A0.9600
N9—C13'1.33 (4)C18—H18B0.9600
N9—C141.42 (5)C18—H18C0.9600
N9—C14'1.61 (4)C18'—H18D0.9600
N9—C131.66 (4)C18'—H18E0.9600
N10—C161.427 (17)C18'—H18F0.9600
N10—C151.484 (17)C19—H19A0.9600
N10'—C15'1.479 (17)C19—H19B0.9600
N10'—C16'1.481 (17)C19—H19C0.9600
N11—C171.436 (18)C19'—H19D0.9600
N11—C181.464 (18)C19'—H19E0.9600
N11'—C18'1.443 (18)C19'—H19F0.9600
N11'—C17'1.458 (18)C20—H20A0.9600
N12—C191.429 (19)C20—H20B0.9600
N12—C201.450 (18)C20—H20C0.9600
N12'—C19'1.421 (18)C20'—H20D0.9600
N12'—C20'1.429 (19)C20'—H20E0.9600
N12'—N141.85 (3)C20'—H20F0.9600
N13—C211.435 (17)C21—H21A0.9600
N13—C221.460 (19)C21—H21B0.9600
N13'—C21'1.439 (17)C21—H21C0.9600
N13'—C22'1.459 (18)C21'—H21D0.9600
N14—C231.440 (18)C21'—H21E0.9600
N14—C241.457 (18)C21'—H21F0.9600
N14'—C24'1.454 (18)C22—H22A0.9600
N14'—C23'1.456 (18)C22—H22B0.9600
C1—H1A0.9600C22—H22C0.9600
C1—H1B0.9600C22'—H22D0.9600
C1—H1C0.9600C22'—H22E0.9600
C1'—H1'A0.9600C22'—H22F0.9600
C1'—H1'B0.9600C23—H23A0.9600
C1'—H1'C0.9600C23—H23B0.9600
C2—H2A0.9600C23—H23C0.9600
C2—H2B0.9600C23'—H23D0.9600
C2—H2C0.9600C23'—H23E0.9600
C2'—H2'A0.9600C23'—H23G0.9600
C2'—H2'B0.9600C24—H24A0.9600
C2'—H2'C0.9600C24—H24D0.9600
C3—H3A0.9600C24—H24B0.9600
C3—H3B0.9600C24'—H24C0.9600
C3—H3C0.9600C24'—H24G0.9600
C3'—H3'A0.9600C24'—H24E0.9600
C3'—H3'B0.9600
S1—W1—S2110.48 (10)H1'A—C1'—H1'C109.5
S1—W1—S4108.31 (11)H1'B—C1'—H1'C109.5
S2—W1—S4108.46 (12)N3—C2—H2A109.5
S1—W1—S3108.21 (10)N3—C2—H2B109.5
S2—W1—S3108.31 (10)H2A—C2—H2B109.5
S4—W1—S3113.08 (9)N3—C2—H2C109.5
S1—W1—Ag1i124.56 (8)H2A—C2—H2C109.5
S2—W1—Ag1i124.95 (7)H2B—C2—H2C109.5
S4—W1—Ag1i55.59 (6)N3—C2'—H2'A109.5
S3—W1—Ag1i57.48 (7)N3—C2'—H2'B109.5
S1—W1—Ag158.54 (7)H2'A—C2'—H2'B109.5
S2—W1—Ag158.30 (7)N3—C2'—H2'C109.5
S4—W1—Ag1100.30 (6)H2'A—C2'—H2'C109.5
S3—W1—Ag1146.63 (7)H2'B—C2'—H2'C109.5
Ag1i—W1—Ag1155.891 (14)N4—C3—H3A109.5
O8—La1—O9156.8 (2)N4—C3—H3B109.5
O8—La1—O1092.8 (2)H3A—C3—H3B109.5
O9—La1—O1088.5 (2)N4—C3—H3C109.5
O8—La1—O794.8 (2)H3A—C3—H3C109.5
O9—La1—O792.2 (2)H3B—C3—H3C109.5
O10—La1—O7158.6 (2)N4—C3'—H3'A109.5
O8—La1—O279.6 (2)N4—C3'—H3'B109.5
O9—La1—O281.0 (3)H3'A—C3'—H3'B109.5
O10—La1—O2126.6 (2)N4—C3'—H3'C109.5
O7—La1—O274.6 (2)H3'A—C3'—H3'C109.5
O8—La1—O176.8 (2)H3'B—C3'—H3'C109.5
O9—La1—O180.9 (2)N4—C4—H4A109.5
O10—La1—O177.6 (3)N4—C4—H4B109.5
O7—La1—O1123.6 (3)H4A—C4—H4B109.5
O2—La1—O149.0 (3)N4—C4—H4C109.5
O8—La1—O576.4 (2)H4A—C4—H4C109.5
O9—La1—O5126.5 (2)H4B—C4—H4C109.5
O10—La1—O580.1 (2)N4—C4'—H4'A109.5
O7—La1—O582.4 (2)N4—C4'—H4'B109.5
O2—La1—O5145.0 (3)H4'A—C4'—H4'B109.5
O1—La1—O5143.9 (3)N4—C4'—H4'C109.5
O8—La1—O4125.0 (2)H4'A—C4'—H4'C109.5
O9—La1—O478.0 (2)H4'B—C4'—H4'C109.5
O10—La1—O478.5 (2)N5—C5—H5A109.5
O7—La1—O480.7 (2)N5—C5—H5B109.5
O2—La1—O4146.7 (3)H5A—C5—H5B109.5
O1—La1—O4148.4 (3)N5—C5—H5C109.5
O5—La1—O448.6 (2)H5A—C5—H5C109.5
O8—La1—N175.8 (2)H5B—C5—H5C109.5
O9—La1—N181.2 (2)N5—C5'—H5'A109.5
O10—La1—N1102.2 (3)N5—C5'—H5'B109.5
O7—La1—N199.1 (3)H5'A—C5'—H5'B109.5
O2—La1—N124.5 (3)N5—C5'—H5'C109.5
O1—La1—N124.5 (3)H5'A—C5'—H5'C109.5
O5—La1—N1152.2 (2)H5'B—C5'—H5'C109.5
O4—La1—N1159.2 (3)N5—C6—H6A109.5
O8—La1—N2100.7 (3)N5—C6—H6B109.5
O9—La1—N2102.1 (3)H6A—C6—H6B109.5
O10—La1—N276.0 (2)N5—C6—H6C109.5
O7—La1—N282.9 (2)H6A—C6—H6C109.5
O2—La1—N2157.4 (2)H6B—C6—H6C109.5
O1—La1—N2153.4 (3)N5—C6'—H6'A109.5
O5—La1—N224.5 (2)N5—C6'—H6'B109.5
O4—La1—N224.3 (2)H6'A—C6'—H6'B109.5
N1—La1—N2176.1 (3)N5—C6'—H6'C109.5
S4ii—Ag1—S3ii92.94 (8)H6'A—C6'—H6'C109.5
S4ii—Ag1—S2118.81 (10)H6'B—C6'—H6'C109.5
S3ii—Ag1—S2121.20 (10)N6—C7—H7A109.5
S4ii—Ag1—S1119.66 (9)N6—C7—H7B109.5
S3ii—Ag1—S1120.22 (10)H7A—C7—H7B109.5
S2—Ag1—S186.98 (8)N6—C7—H7C109.5
S4ii—Ag1—W1ii46.65 (6)H7A—C7—H7C109.5
S3ii—Ag1—W1ii46.29 (5)H7B—C7—H7C109.5
S2—Ag1—W1ii136.59 (7)N6—C8—H8A109.5
S1—Ag1—W1ii136.41 (6)N6—C8—H8B109.5
S4ii—Ag1—W1147.41 (7)H8A—C8—H8B109.5
S3ii—Ag1—W1119.66 (6)N6—C8—H8C109.5
S2—Ag1—W145.64 (6)H8A—C8—H8C109.5
S1—Ag1—W145.43 (5)H8B—C8—H8C109.5
W1ii—Ag1—W1165.95 (3)N7—C9—H9A109.5
W1—S1—Ag176.03 (8)N7—C9—H9B109.5
W1—S2—Ag176.06 (8)H9A—C9—H9B109.5
W1—S3—Ag1i76.23 (7)N7—C9—H9C109.5
W1—S4—Ag1i77.76 (7)H9A—C9—H9C109.5
O7—P1—N4111.3 (5)H9B—C9—H9C109.5
O7—P1—N5110.2 (5)N7—C10—H10A109.5
N4—P1—N5113.4 (6)N7—C10—H10B109.5
O7—P1—N3112.9 (6)H10A—C10—H10B109.5
N4—P1—N3102.4 (7)N7—C10—H10C109.5
N5—P1—N3106.4 (8)H10A—C10—H10C109.5
O8—P2—N6111.6 (4)H10B—C10—H10C109.5
O8—P2—N8108.7 (4)N8—C11—H11A109.5
N6—P2—N8108.9 (4)N8—C11—H11B109.5
O8—P2—N7111.4 (4)H11A—C11—H11B109.5
N6—P2—N7107.1 (5)N8—C11—H11C109.5
N8—P2—N7109.0 (5)H11A—C11—H11C109.5
O9—P3—N10112.5 (8)H11B—C11—H11C109.5
O9—P3—N10'109.7 (7)N8—C12—H12A109.5
N10—P3—N10'31.3 (9)N8—C12—H12B109.5
O9—P3—N9116.7 (5)H12A—C12—H12B109.5
N10—P3—N9119.5 (9)N8—C12—H12C109.5
N10'—P3—N997.9 (9)H12A—C12—H12C109.5
O9—P3—N11109.9 (8)H12B—C12—H12C109.5
N10—P3—N11110.2 (11)N9—C13—H13A109.5
N10'—P3—N11134.4 (11)N9—C13—H13B109.5
N9—P3—N1183.9 (10)H13A—C13—H13B109.5
O9—P3—N11'109.7 (8)N9—C13—H13C109.5
N10—P3—N11'90.4 (11)H13A—C13—H13C109.5
N10'—P3—N11'119.1 (10)H13B—C13—H13C109.5
N9—P3—N11'103.6 (10)N9—C13'—H13D109.5
N11—P3—N11'22.8 (10)N9—C13'—H13E109.5
O10—P4—N13110.3 (8)H13D—C13'—H13E109.5
O10—P4—N12'121.0 (9)N9—C13'—H13F109.5
N13—P4—N12'125.9 (11)H13D—C13'—H13F109.5
O10—P4—N14'113.7 (9)H13E—C13'—H13F109.5
N13—P4—N14'60.4 (10)N9—C14—H14A109.5
N12'—P4—N14'108.7 (12)N9—C14—H14B109.5
O10—P4—N14105.9 (9)H14A—C14—H14B109.5
N13—P4—N14111.7 (11)N9—C14—H14C109.5
N12'—P4—N1470.8 (12)H14A—C14—H14C109.5
N14'—P4—N1452.4 (10)H14B—C14—H14C109.5
O10—P4—N12107.3 (8)N9—C14'—H14D109.5
N13—P4—N12115.3 (11)N9—C14'—H14E109.5
N12'—P4—N1235.3 (10)H14D—C14'—H14E109.5
N14'—P4—N12137.4 (11)N9—C14'—H14F109.5
N14—P4—N12105.9 (11)H14D—C14'—H14F109.5
O10—P4—N13'109.3 (7)H14E—C14'—H14F109.5
N13—P4—N13'44.9 (8)N10—C15—H15A109.5
N12'—P4—N13'99.4 (11)N10—C15—H15B109.5
N14'—P4—N13'102.2 (10)H15A—C15—H15B109.5
N14—P4—N13'143.2 (10)N10—C15—H15C109.5
N12—P4—N13'73.8 (10)H15A—C15—H15C109.5
N1—O1—La195.5 (6)H15B—C15—H15C109.5
N1—O2—La195.9 (6)N10'—C15'—H15D109.5
N2—O4—La197.0 (5)N10'—C15'—H15E109.5
N2—O5—La196.9 (6)H15D—C15'—H15E109.5
P1—O7—La1171.3 (4)N10'—C15'—H15F109.5
P2—O8—La1167.2 (4)H15D—C15'—H15F109.5
P3—O9—La1162.0 (4)H15E—C15'—H15F109.5
P4—O10—La1169.1 (4)N10—C16—H16A109.5
O3—N1—O1121.2 (11)N10—C16—H16B109.5
O3—N1—O2119.5 (11)H16A—C16—H16B109.5
O1—N1—O2119.3 (8)N10—C16—H16C109.5
O3—N1—La1173.8 (7)H16A—C16—H16C109.5
O1—N1—La160.0 (5)H16B—C16—H16C109.5
O2—N1—La159.5 (5)N10'—C16'—H16D109.5
O6—N2—O4123.2 (9)N10'—C16'—H16E109.5
O6—N2—O5120.2 (10)H16D—C16'—H16E109.5
O4—N2—O5116.6 (8)N10'—C16'—H16F109.5
O6—N2—La1171.5 (7)H16D—C16'—H16F109.5
O4—N2—La158.7 (4)H16E—C16'—H16F109.5
O5—N2—La158.7 (5)N11—C17—H17A109.5
C1'—N3—C225 (3)N11—C17—H17B109.5
C1'—N3—C190 (3)H17A—C17—H17B109.5
C2—N3—C1109 (3)N11—C17—H17C109.5
C1'—N3—C2'95 (3)H17A—C17—H17C109.5
C2—N3—C2'75 (3)H17B—C17—H17C109.5
C1—N3—C2'104 (3)N11'—C17'—H17D109.5
C1'—N3—P1130 (3)N11'—C17'—H17E109.5
C2—N3—P1122 (3)H17D—C17'—H17E109.5
C1—N3—P1125 (2)N11'—C17'—H17F109.5
C2'—N3—P1106 (2)H17D—C17'—H17F109.5
C3—N4—C3'29.8 (17)H17E—C17'—H17F109.5
C3—N4—C4116 (2)N11—C18—H18A109.5
C3'—N4—C4126 (2)N11—C18—H18B109.5
C3—N4—C4'101 (2)H18A—C18—H18B109.5
C3'—N4—C4'101 (2)N11—C18—H18C109.5
C4—N4—C4'27 (2)H18A—C18—H18C109.5
C3—N4—P1128.9 (15)H18B—C18—H18C109.5
C3'—N4—P1118.6 (15)N11'—C18'—H18D109.5
C4—N4—P1112.8 (19)N11'—C18'—H18E109.5
C4'—N4—P1129.5 (19)H18D—C18'—H18E109.5
C6'—N5—C616 (3)N11'—C18'—H18F109.5
C6'—N5—C5101 (3)H18D—C18'—H18F109.5
C6—N5—C5102 (3)H18E—C18'—H18F109.5
C6'—N5—C5'129 (3)N12—C19—H19A109.5
C6—N5—C5'121 (3)N12—C19—H19B109.5
C5—N5—C5'37.1 (17)H19A—C19—H19B109.5
C6'—N5—P1119 (2)N12—C19—H19C109.5
C6—N5—P1126 (2)H19A—C19—H19C109.5
C5—N5—P1129.0 (17)H19B—C19—H19C109.5
C5'—N5—P1111.9 (18)N12'—C19'—H19D109.5
C7—N6—C8117.2 (11)N12'—C19'—H19E109.5
C7—N6—P2119.2 (9)H19D—C19'—H19E109.5
C8—N6—P2123.2 (10)N12'—C19'—H19F109.5
C10—N7—C9113.8 (10)H19D—C19'—H19F109.5
C10—N7—P2120.4 (8)H19E—C19'—H19F109.5
C9—N7—P2125.7 (8)N12—C20—H20A109.5
C11—N8—C12115.6 (9)N12—C20—H20B109.5
C11—N8—P2121.1 (7)H20A—C20—H20B109.5
C12—N8—P2121.4 (8)N12—C20—H20C109.5
C13'—N9—C1480 (3)H20A—C20—H20C109.5
C13'—N9—C14'113 (3)H20B—C20—H20C109.5
C14—N9—C14'38 (2)N12'—C20'—H20D109.5
C13'—N9—P3138 (2)N12'—C20'—H20E109.5
C14—N9—P3126 (2)H20D—C20'—H20E109.5
C14'—N9—P3103.9 (19)N12'—C20'—H20F109.5
C13'—N9—C1338.1 (18)H20D—C20'—H20F109.5
C14—N9—C13118 (3)H20E—C20'—H20F109.5
C14'—N9—C13147 (2)N13—C21—H21A109.5
P3—N9—C13109.1 (18)N13—C21—H21B109.5
C16—N10—C15115 (2)H21A—C21—H21B109.5
C16—N10—P3122.2 (18)N13—C21—H21C109.5
C15—N10—P3122.8 (18)H21A—C21—H21C109.5
C15'—N10'—C16'117 (2)H21B—C21—H21C109.5
C15'—N10'—P3124.0 (18)N13'—C21'—H21D109.5
C16'—N10'—P3117.4 (17)N13'—C21'—H21E109.5
C17—N11—C18111 (3)H21D—C21'—H21E109.5
C17—N11—P3127 (2)N13'—C21'—H21F109.5
C18—N11—P3118 (2)H21D—C21'—H21F109.5
C18'—N11'—C17'116 (3)H21E—C21'—H21F109.5
C18'—N11'—P3119 (2)N13—C22—H22A109.5
C17'—N11'—P3122 (2)N13—C22—H22B109.5
C19—N12—C20108 (3)H22A—C22—H22B109.5
C19—N12—P4131 (2)N13—C22—H22C109.5
C20—N12—P4120 (2)H22A—C22—H22C109.5
C19'—N12'—C20'103 (3)H22B—C22—H22C109.5
C19'—N12'—P4126 (2)N13'—C22'—H22D109.5
C20'—N12'—P4121 (3)N13'—C22'—H22E109.5
C19'—N12'—N1470 (2)H22D—C22'—H22E109.5
C20'—N12'—N14133 (3)N13'—C22'—H22F109.5
P4—N12'—N1456.8 (10)H22D—C22'—H22F109.5
C21—N13—C22114 (2)H22E—C22'—H22F109.5
C21—N13—P4121.2 (18)N14—C23—H23A109.5
C22—N13—P4122 (2)N14—C23—H23B109.5
C21'—N13'—C22'112 (2)H23A—C23—H23B109.5
C21'—N13'—P4121.8 (17)N14—C23—H23C109.5
C22'—N13'—P4126 (2)H23A—C23—H23C109.5
C23—N14—C24100 (3)H23B—C23—H23C109.5
C23—N14—P4137 (2)N14'—C23'—H23D109.5
C24—N14—P4121 (2)N14'—C23'—H23E109.5
C23—N14—N12'90 (2)H23D—C23'—H23E109.5
C24—N14—N12'169 (3)N14'—C23'—H23G109.5
P4—N14—N12'52.3 (10)H23D—C23'—H23G109.5
C24'—N14'—C23'116 (3)H23E—C23'—H23G109.5
C24'—N14'—P4115 (2)N14—C24—H24A109.5
C23'—N14'—P4127 (2)N14—C24—H24D109.5
N3—C1—H1A109.5H24A—C24—H24D109.5
N3—C1—H1B109.5N14—C24—H24B109.5
H1A—C1—H1B109.5H24A—C24—H24B109.5
N3—C1—H1C109.5H24D—C24—H24B109.5
H1A—C1—H1C109.5N14'—C24'—H24C109.5
H1B—C1—H1C109.5N14'—C24'—H24G109.5
N3—C1'—H1'A109.5H24C—C24'—H24G109.5
N3—C1'—H1'B109.5N14'—C24'—H24E109.5
H1'A—C1'—H1'B109.5H24C—C24'—H24E109.5
N3—C1'—H1'C109.5H24G—C24'—H24E109.5

Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) x, −y+1/2, z−1/2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG2364).

References

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