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Acta Crystallogr Sect E Struct Rep Online. 2010 December 1; 66(Pt 12): m1665–m1666.
Published online 2010 November 27. doi:  10.1107/S1600536810048567
PMCID: PMC3011686

Poly[[aqua­tris­(μ3-hexa­methyl­ene­tetra­mine-κ3 N,N′,N′′)tris­(p-toluene­sulfonato-κO)tris­ilver(I)] trihydrate]

Abstract

There are three AgI cations, three p-toluene­sulfonate (pts) anions, three hexa­methyl­ene­tetra­mine (hmt) mol­ecules and four water mol­ecules in the asymmetric unit of the title coordination polymer, {[Ag3(C7H7O3S)3(C6H12N4)3(H2O)]·3H2O}n. Two of the pts anions show positional disorder of their O atoms in 0.60:0.40 and 0.50:0.50 ratios. The AgI ion is coordinated by three hmt mol­ecules in an approximate trigonal–planar AgN3 arrangement. In each case, longer Ag—O bonds to a water mol­ecule and a pts anion complete a distorted trigonal–bipyramidal AgN3O2 geometry for the metal ion. In the crystal, the bridging hmt mol­ecules and pts ions generate a wave-like layer parallel to (001) and O—H(...)O hydrogen-bonding inter­actions consolidate the packing.

Related literature

For background to metal-coordination networks containing both sulfonate anions and N-bonded ligands, see: Côté & Shimizu (2003 [triangle]); Zhang et al. (2001 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1665-scheme1.jpg

Experimental

Crystal data

  • [Ag3(C7H7O3S)3(C6H12N4)3(H2O)]·3H2O
  • M r = 1329.82
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1665-efi4.jpg
  • a = 17.3181 (5) Å
  • b = 10.7028 (3) Å
  • c = 26.9110 (11) Å
  • β = 95.657 (3)°
  • V = 4963.7 (3) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 1.37 mm−1
  • T = 293 K
  • 0.30 × 0.25 × 0.22 mm

Data collection

  • Oxford Diffraction Gemini R Ultra diffractometer
  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006 [triangle]) T min = 0.672, T max = 0.728
  • 21413 measured reflections
  • 11446 independent reflections
  • 7890 reflections with I > 2σ(I)
  • R int = 0.021

Refinement

  • R[F 2 > 2σ(F 2)] = 0.038
  • wR(F 2) = 0.097
  • S = 0.99
  • 11446 reflections
  • 650 parameters
  • 12 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.90 e Å−3
  • Δρmin = −1.05 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 [triangle]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2006 [triangle]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL-Plus (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXL97.

Table 1
Selected bond lengths (Å)
Table 2
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810048567/hb5739sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810048567/hb5739Isup2.hkl

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

Acknowledgments

We thank the Heilongjiang Province Education Department for support (project ‘The Study of Silver Sulfonates containing Neutral Ligands’, serial No. 11535035).

supplementary crystallographic information

Comment

Metal sulfonate complexes modified by different nitrogen-containing secondary ligands have been of great interest due to their abilities to form various structures, possible extended supramolecular system and good properties (Côté & Shimizu, 2003). Currently, there are some AgI sulfonate coordination polymers building from hexamethylenetetramine ligand because of its multidentate coordination mode (Zhang et al., 2001).

In the crystal structure of the title compound, C39H65Ag3N12O13S3, there are three AgI cations, three p-toluenesulfonate anions, three hexamethylenetetramine and four water molecules (Fig. 1). Ag1 cation is four-coordinated by three N atoms from three different hexamethylenetetramine ligands [Ag1—N1 = 2.362 (2), Ag1—N9i = 2.367 (2), and Ag1—N10ii = 2.388 (3)] and one O atom from one p-toluenesulfonate ligand [Ag1—O = 2.644 (6) Å] in a distorted tetrahedral coordination geometry. Ag2 cation is five-coordinated by three N atoms from three different hexamethylenetetramine ligands [Ag2—N5 = 2.347 (2), Ag2—N4 = 2.374 (2) and Ag2—N7ii = 2.365 (2) Å], one O atom from one p-toluenesulfonate ligand and one water molecule [Ag2—O4 = 2.622 (3) and Ag2—O1W = 2.622 (4) Å] in a trigonalbiyramid coordination geometry. Ag3 cation is also four-coordinated by three N atoms from hexamethylenetetramine ligands [Ag3—N3ii = 2.315 (3), Ag3—N8 = 2.358 (3), and Ag3—N11 = 2.394 (2) Å] and one p-toluenesulfonate ligand [Ag3—O9 = 2.438 (5) Å] in a distorted tetrahedral coordination geometry. The AgI cations are bridged by hexamethylenetetramine molecules in tridentate modes to generate a two dimensional wave like layer with the p-toluenesulfonate ligands hanged up and down (Fig. 2). The intermoleclar hydrogen bonding interactions consolidate the layer.

Experimental

An aqueous solution (10 ml) of p-toluenesulfonic acid (0.038 g, 0.3 mmol) was added to solid Ag2CO3 (0.041 g, 0.15 mmol) and stirred for several stirred for several minutes until no further CO2 was given off; and hexamethylenetetramine (0.028 g, 0.2 mmol) was added in. The white precipitate was dissolved by dropwise addition of an aqueous solution of NH3 (14 M). Colourless blocks were obtained by evaporation of the solution for several days at room temperature.

Refinement

The disordered O atoms (O1, O2, O3, O7, and O9) of p-toluenesulfonate ligands split over two sites with a total ocuupancy of 1. C–bound H–atoms were geometrically positioned (C—H 0.93 Å) and refined using a riding model, with Uiso = 1.2Ueq (C). The water H atoms were located in a difference Fourier map and refined with Uiso(H)= 1.5Ueq(O).

Figures

Fig. 1.
The molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level. [Symmetry codes: (i) x - 1, y, z; (ii) -x + 3/2, y - 1/2, -z + 3/2].
Fig. 2.
The two dimensional wave like layer of the title compound.

Crystal data

[Ag3(C7H7O3S)3(C6H12N4)3(H2O)]·3H2OF(000) = 2704
Mr = 1329.82Dx = 1.779 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 11446 reflections
a = 17.3181 (5) Åθ = 3.0–29.3°
b = 10.7028 (3) ŵ = 1.37 mm1
c = 26.9110 (11) ÅT = 293 K
β = 95.657 (3)°Block, colorless
V = 4963.7 (3) Å30.30 × 0.25 × 0.22 mm
Z = 4

Data collection

Oxford Diffraction Gemini R Ultra diffractometer11446 independent reflections
Radiation source: fine-focus sealed tube7890 reflections with I > 2σ(I)
graphiteRint = 0.021
Detector resolution: 10.0 pixels mm-1θmax = 29.3°, θmin = 3.0°
ω scansh = −23→19
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006)k = −13→8
Tmin = 0.672, Tmax = 0.728l = −24→36
21413 measured reflections

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)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H atoms treated by a mixture of independent and constrained refinement
S = 0.99w = 1/[σ2(Fo2) + (0.054P)2] where P = (Fo2 + 2Fc2)/3
11446 reflections(Δ/σ)max = 0.002
650 parametersΔρmax = 0.90 e Å3
12 restraintsΔρmin = −1.05 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.
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)
Ag10.314657 (14)0.08332 (2)0.713161 (11)0.03692 (8)
Ag20.667686 (12)0.06405 (2)0.717069 (11)0.03702 (8)
Ag31.009181 (14)0.07397 (3)0.816707 (13)0.04627 (9)
C10.10904 (18)0.1984 (3)0.57691 (13)0.0351 (8)
C20.1425 (2)0.1533 (4)0.53604 (14)0.0463 (9)
H20.19550.13700.53830.056*
C30.0967 (3)0.1325 (4)0.49154 (15)0.0538 (11)
H30.11990.10210.46420.065*
C40.0182 (3)0.1555 (4)0.48654 (15)0.0530 (11)
C5−0.0141 (2)0.1996 (4)0.52791 (17)0.0565 (11)
H5−0.06720.21490.52560.068*
C60.0298 (2)0.2218 (4)0.57274 (15)0.0469 (10)
H60.00640.25230.60000.056*
C7−0.0295 (3)0.1341 (5)0.43795 (17)0.0801 (16)
H7A−0.08270.15420.44140.120*
H7B−0.02570.04800.42850.120*
H7C−0.01080.18630.41270.120*
C81.03065 (19)0.2536 (4)0.96495 (12)0.0377 (8)
C91.0778 (2)0.1596 (4)0.98513 (14)0.0471 (10)
H91.06120.07690.98300.057*
C101.1501 (2)0.1887 (5)1.00856 (15)0.0591 (12)
H101.18160.12521.02270.071*
C111.1766 (2)0.3103 (6)1.01136 (16)0.0645 (13)
C121.1281 (3)0.4044 (5)0.99292 (17)0.0628 (12)
H121.14430.48710.99600.075*
C131.0550 (2)0.3767 (4)0.96963 (15)0.0506 (10)
H131.02230.44070.95720.061*
C141.2587 (3)0.3412 (8)1.0342 (2)0.105 (2)
H14A1.26690.42981.03280.157*
H14B1.29570.29921.01570.157*
H14C1.26510.31401.06830.157*
C150.6257 (2)0.1507 (3)0.89555 (14)0.0399 (8)
C160.5692 (2)0.0757 (4)0.91222 (15)0.0472 (9)
H160.52220.06510.89280.057*
C170.5822 (3)0.0165 (4)0.95755 (16)0.0578 (11)
H170.5434−0.03380.96850.069*
C180.6505 (3)0.0297 (4)0.98689 (17)0.0608 (12)
C190.7078 (3)0.1047 (5)0.96987 (19)0.0638 (12)
H190.75470.11480.98940.077*
C200.6959 (2)0.1644 (4)0.92434 (16)0.0514 (10)
H200.73490.21360.91310.062*
C210.6636 (4)−0.0304 (6)1.03776 (19)0.0922 (18)
H21A0.7148−0.01041.05260.138*
H21B0.6585−0.11941.03440.138*
H21C0.62590.00031.05860.138*
C220.42034 (16)0.3050 (3)0.68223 (13)0.0289 (7)
H22A0.42360.32020.71790.035*
H22B0.37270.34260.66720.035*
C230.41350 (18)0.1495 (3)0.61824 (13)0.0340 (8)
H23A0.41170.06050.61130.041*
H23B0.36610.18660.60260.041*
C240.55120 (18)0.1488 (3)0.61999 (13)0.0369 (8)
H24A0.59520.18550.60570.044*
H24B0.55100.05980.61310.044*
C250.55931 (16)0.3047 (3)0.68477 (13)0.0290 (7)
H25A0.60390.34280.67160.035*
H25B0.56370.31890.72050.035*
C260.49138 (16)0.1145 (3)0.69615 (13)0.0302 (7)
H26A0.49580.12930.73190.036*
H26B0.49070.02490.69080.036*
C270.48138 (19)0.3383 (3)0.60693 (13)0.0386 (8)
H27A0.43450.37640.59100.046*
H27B0.52530.37550.59270.046*
C280.77641 (16)0.2991 (3)0.73890 (13)0.0299 (7)
H28A0.75710.29350.77150.036*
H28B0.73820.34380.71690.036*
C290.84460 (16)0.1052 (3)0.75281 (14)0.0316 (7)
H29A0.82640.09770.78560.038*
H29B0.85150.02160.74000.038*
C300.81468 (19)0.1839 (3)0.66969 (14)0.0384 (8)
H30A0.82110.10120.65590.046*
H30B0.77670.22830.64740.046*
C310.94465 (18)0.1821 (3)0.70622 (15)0.0424 (9)
H31A0.99430.22450.70800.051*
H31B0.95150.09900.69290.051*
C320.90727 (17)0.2980 (3)0.77631 (14)0.0347 (8)
H32A0.95630.34260.77970.042*
H32B0.88920.29160.80920.042*
C330.87806 (19)0.3752 (3)0.69322 (14)0.0385 (8)
H33A0.84090.42130.67090.046*
H33B0.92700.41990.69520.046*
C341.17915 (16)0.1141 (3)0.78134 (13)0.0294 (7)
H34A1.15040.12470.74880.035*
H34B1.18540.02520.78750.035*
C351.29800 (17)0.1580 (3)0.83154 (13)0.0333 (8)
H35A1.30520.06970.83880.040*
H35B1.34890.19600.83220.040*
C361.24515 (17)0.3086 (3)0.77130 (12)0.0267 (7)
H36A1.29530.34880.77110.032*
H36B1.21700.32020.73870.032*
C371.18014 (18)0.1554 (3)0.86903 (13)0.0340 (8)
H37A1.15160.19210.89460.041*
H37B1.18710.06720.87650.041*
C381.12622 (16)0.3044 (3)0.80919 (13)0.0297 (7)
H38A1.09740.31540.77670.036*
H38B1.09660.34260.83390.036*
C391.24502 (18)0.3481 (3)0.85897 (13)0.0334 (8)
H39A1.29530.38830.85970.040*
H39B1.21700.38650.88450.040*
O1'0.1480 (4)0.3411 (7)0.6499 (3)0.0744 (19)*0.50
O10.1172 (3)0.2996 (5)0.66542 (19)0.0419 (12)*0.50
O2'0.1309 (5)0.1218 (9)0.6678 (3)0.108 (3)*0.50
O20.1813 (3)0.1080 (5)0.6571 (2)0.0513 (14)*0.50
O1W0.70784 (18)−0.0600 (3)0.63965 (14)0.0704 (10)
O3'0.2382 (4)0.1850 (9)0.6303 (3)0.096 (2)*0.50
O30.2377 (3)0.2902 (6)0.6240 (2)0.0566 (14)*0.50
O2W1.06791 (15)0.4929 (3)0.71250 (11)0.0543 (7)
O40.6619 (2)0.1634 (3)0.80569 (12)0.0881 (12)
O3W0.4316 (2)0.4268 (4)0.79689 (14)0.0760 (10)
O50.53010 (19)0.2102 (3)0.81959 (11)0.0735 (10)
O4W0.6873 (2)0.4746 (4)0.62992 (15)0.0830 (11)
O60.63193 (17)0.3562 (3)0.84465 (11)0.0600 (8)
O7'0.8959 (6)0.1405 (12)0.9688 (4)0.109 (3)*0.40
O70.9210 (3)0.0947 (5)0.9404 (2)0.0670 (14)*0.60
O80.89252 (18)0.3193 (4)0.93192 (15)0.0903 (12)
O90.9709 (3)0.2271 (5)0.8767 (2)0.0475 (13)*0.50
O9'0.9462 (6)0.1437 (11)0.8920 (4)0.124 (3)*0.50
S10.16466 (5)0.22358 (10)0.63466 (4)0.0441 (2)
S20.61121 (6)0.22628 (9)0.83691 (4)0.0481 (2)
S30.94276 (6)0.21884 (11)0.92946 (5)0.0599 (3)
N10.41778 (13)0.1693 (2)0.67309 (10)0.0260 (6)
N20.47982 (16)0.2043 (3)0.59677 (11)0.0382 (7)
N30.48729 (13)0.3647 (2)0.66152 (10)0.0280 (6)
N40.55957 (13)0.1691 (2)0.67493 (10)0.0262 (6)
N50.78586 (13)0.1722 (2)0.71920 (10)0.0280 (6)
N60.88871 (15)0.2504 (3)0.67246 (11)0.0395 (7)
N70.85025 (13)0.3702 (2)0.74346 (11)0.0298 (6)
N80.91990 (13)0.1713 (2)0.75711 (11)0.0331 (7)
N91.25674 (13)0.1725 (2)0.78090 (10)0.0258 (6)
N101.20165 (13)0.3685 (2)0.80957 (10)0.0253 (5)
N111.13457 (13)0.1694 (2)0.81992 (10)0.0276 (6)
N121.25592 (14)0.2151 (3)0.87016 (10)0.0328 (6)
H1WA0.6786 (17)−0.097 (4)0.6160 (12)0.049*
H1WB0.7504 (15)−0.094 (4)0.6411 (14)0.049*
H2WA1.042 (2)0.549 (3)0.6976 (14)0.049*
H2WB1.088 (2)0.448 (3)0.6915 (13)0.049*
H3WA0.425 (2)0.485 (3)0.8145 (14)0.049*
H3WB0.460 (2)0.375 (3)0.8101 (15)0.049*
H4WA0.7258 (14)0.504 (4)0.6231 (15)0.049*
H4WB0.6512 (16)0.522 (4)0.6144 (14)0.049*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Ag10.03300 (13)0.02596 (14)0.05419 (18)−0.00300 (10)0.01635 (12)−0.00403 (12)
Ag20.02446 (12)0.02352 (13)0.06195 (19)−0.00263 (9)−0.00151 (11)0.00299 (13)
Ag30.03051 (13)0.02299 (14)0.0846 (2)0.00125 (10)0.00192 (13)0.00676 (14)
C10.0398 (17)0.0307 (19)0.034 (2)0.0014 (14)−0.0005 (15)0.0044 (16)
C20.048 (2)0.045 (2)0.046 (2)−0.0009 (18)0.0078 (18)−0.0004 (19)
C30.082 (3)0.047 (3)0.034 (2)−0.019 (2)0.012 (2)−0.0011 (19)
C40.074 (3)0.037 (2)0.045 (3)−0.019 (2)−0.012 (2)0.0112 (19)
C50.041 (2)0.063 (3)0.062 (3)−0.0016 (19)−0.014 (2)0.005 (2)
C60.0402 (18)0.053 (3)0.046 (2)0.0076 (17)−0.0029 (17)−0.001 (2)
C70.113 (4)0.068 (4)0.052 (3)−0.034 (3)−0.027 (3)0.017 (3)
C80.0446 (18)0.041 (2)0.0289 (19)0.0084 (16)0.0097 (15)0.0040 (17)
C90.050 (2)0.051 (3)0.041 (2)0.0123 (18)0.0073 (18)0.0049 (19)
C100.054 (2)0.082 (4)0.042 (2)0.026 (2)0.0055 (19)0.010 (2)
C110.053 (2)0.101 (4)0.040 (3)0.002 (3)0.006 (2)0.001 (3)
C120.069 (3)0.063 (3)0.057 (3)−0.020 (2)0.012 (2)0.000 (2)
C130.057 (2)0.045 (2)0.050 (2)0.0084 (19)0.0067 (19)0.009 (2)
C140.070 (3)0.159 (7)0.083 (4)−0.020 (4)−0.004 (3)−0.016 (4)
C150.052 (2)0.0293 (19)0.040 (2)0.0067 (16)0.0141 (17)−0.0023 (17)
C160.060 (2)0.041 (2)0.041 (2)−0.0041 (18)0.0108 (18)0.0017 (19)
C170.084 (3)0.045 (3)0.047 (3)0.002 (2)0.018 (2)0.011 (2)
C180.089 (3)0.046 (3)0.048 (3)0.026 (2)0.013 (2)0.008 (2)
C190.068 (3)0.055 (3)0.066 (3)0.022 (2)−0.008 (2)0.000 (2)
C200.051 (2)0.046 (2)0.059 (3)0.0081 (18)0.013 (2)0.002 (2)
C210.141 (5)0.075 (4)0.058 (3)0.022 (4)0.001 (3)0.029 (3)
C220.0247 (14)0.0204 (16)0.043 (2)0.0010 (12)0.0083 (14)−0.0054 (14)
C230.0317 (16)0.0312 (19)0.038 (2)−0.0032 (14)−0.0018 (15)−0.0071 (16)
C240.0321 (16)0.036 (2)0.045 (2)0.0018 (14)0.0124 (15)−0.0059 (17)
C250.0249 (14)0.0228 (16)0.0388 (19)−0.0020 (12)0.0007 (13)0.0013 (15)
C260.0277 (15)0.0214 (16)0.042 (2)−0.0001 (12)0.0031 (14)0.0052 (15)
C270.0376 (17)0.036 (2)0.041 (2)−0.0004 (15)0.0019 (16)0.0133 (17)
C280.0247 (14)0.0209 (16)0.045 (2)−0.0018 (12)0.0051 (14)−0.0032 (15)
C290.0284 (15)0.0175 (15)0.049 (2)−0.0039 (12)0.0036 (14)0.0021 (15)
C300.0391 (17)0.0300 (19)0.047 (2)−0.0062 (14)0.0077 (16)−0.0074 (17)
C310.0277 (16)0.0317 (19)0.070 (3)0.0022 (14)0.0169 (17)−0.0070 (19)
C320.0290 (15)0.0192 (16)0.054 (2)−0.0006 (12)−0.0035 (15)−0.0016 (16)
C330.0324 (16)0.0243 (17)0.060 (2)−0.0059 (14)0.0101 (16)0.0052 (17)
C340.0310 (15)0.0217 (16)0.0355 (19)−0.0044 (12)0.0032 (14)−0.0023 (14)
C350.0260 (15)0.0293 (18)0.044 (2)0.0036 (13)−0.0010 (14)0.0061 (16)
C360.0279 (14)0.0200 (16)0.0319 (18)−0.0024 (12)0.0017 (13)0.0038 (14)
C370.0413 (18)0.0284 (18)0.0333 (19)−0.0011 (14)0.0083 (15)0.0053 (15)
C380.0249 (14)0.0253 (17)0.0388 (19)0.0015 (12)0.0022 (13)0.0016 (15)
C390.0340 (16)0.0301 (18)0.036 (2)−0.0040 (14)0.0019 (14)−0.0043 (16)
O1W0.0576 (18)0.065 (2)0.087 (3)0.0022 (16)0.0022 (17)−0.0355 (19)
O2W0.0479 (16)0.061 (2)0.0547 (19)0.0042 (14)0.0067 (13)−0.0006 (16)
O40.155 (3)0.054 (2)0.067 (2)−0.031 (2)0.069 (2)−0.0153 (17)
O3W0.072 (2)0.080 (3)0.072 (3)−0.0049 (19)−0.0161 (19)−0.003 (2)
O50.088 (2)0.079 (2)0.0488 (18)−0.0349 (19)−0.0164 (16)0.0206 (17)
O4W0.064 (2)0.089 (3)0.098 (3)−0.003 (2)0.018 (2)0.047 (2)
O60.088 (2)0.0288 (15)0.0622 (19)−0.0083 (14)0.0010 (15)0.0022 (14)
O80.0663 (19)0.076 (3)0.123 (3)0.0312 (18)−0.021 (2)−0.020 (2)
S10.0402 (5)0.0503 (6)0.0398 (5)0.0153 (4)−0.0062 (4)−0.0039 (5)
S20.0757 (6)0.0340 (5)0.0365 (5)−0.0147 (5)0.0151 (5)−0.0004 (4)
S30.0599 (6)0.0515 (7)0.0640 (7)0.0196 (5)−0.0161 (5)−0.0143 (6)
N10.0223 (11)0.0190 (13)0.0370 (16)−0.0010 (10)0.0041 (11)−0.0018 (12)
N20.0402 (15)0.0409 (18)0.0337 (16)0.0007 (13)0.0051 (13)−0.0021 (14)
N30.0253 (12)0.0176 (13)0.0416 (17)−0.0008 (10)0.0059 (11)0.0019 (12)
N40.0200 (11)0.0194 (13)0.0393 (16)−0.0001 (10)0.0037 (11)0.0003 (12)
N50.0218 (11)0.0210 (13)0.0412 (17)−0.0042 (10)0.0027 (11)−0.0024 (12)
N60.0364 (14)0.0339 (17)0.0500 (19)−0.0061 (13)0.0140 (13)−0.0014 (15)
N70.0211 (12)0.0187 (13)0.0487 (18)−0.0009 (10)−0.0002 (12)−0.0014 (13)
N80.0220 (12)0.0204 (14)0.057 (2)0.0025 (10)0.0030 (12)−0.0024 (13)
N90.0237 (12)0.0189 (13)0.0351 (16)0.0001 (10)0.0049 (11)0.0012 (12)
N100.0238 (11)0.0223 (13)0.0295 (15)−0.0006 (10)0.0011 (11)−0.0004 (12)
N110.0242 (12)0.0230 (14)0.0358 (16)−0.0018 (10)0.0036 (11)0.0014 (12)
N120.0312 (13)0.0338 (16)0.0325 (16)0.0013 (12)−0.0016 (12)0.0067 (13)

Geometric parameters (Å, °)

Ag1—N12.362 (2)C28—N71.483 (4)
Ag1—N9i2.367 (3)C28—H28A0.9700
Ag1—N10ii2.388 (3)C28—H28B0.9700
Ag2—N52.347 (2)C29—N81.478 (4)
Ag2—N7ii2.365 (3)C29—N51.478 (4)
Ag2—N42.374 (2)C29—H29A0.9700
Ag3—N3ii2.315 (3)C29—H29B0.9700
Ag3—N82.358 (3)C30—N61.462 (4)
Ag3—N112.394 (2)C30—N51.474 (4)
Ag3—O92.438 (5)C30—H30A0.9700
Ag3—O9'2.507 (11)C30—H30B0.9700
C1—C21.380 (5)C31—N61.458 (5)
C1—C61.389 (5)C31—N81.479 (5)
C1—S11.767 (3)C31—H31A0.9700
C2—C31.388 (6)C31—H31B0.9700
C2—H20.9300C32—N81.475 (4)
C3—C41.375 (6)C32—N71.477 (4)
C3—H30.9300C32—H32A0.9700
C4—C51.378 (6)C32—H32B0.9700
C4—C71.494 (6)C33—N61.467 (4)
C5—C61.381 (6)C33—N71.480 (4)
C5—H50.9300C33—H33A0.9700
C6—H60.9300C33—H33B0.9700
C7—H7A0.9600C34—N111.477 (4)
C7—H7B0.9600C34—N91.483 (4)
C7—H7C0.9600C34—H34A0.9700
C8—C91.374 (5)C34—H34B0.9700
C8—C131.385 (5)C35—N121.461 (4)
C8—S31.755 (4)C35—N91.483 (4)
C9—C101.381 (6)C35—H35A0.9700
C9—H90.9300C35—H35B0.9700
C10—C111.379 (7)C36—N101.481 (4)
C10—H100.9300C36—N91.489 (4)
C11—C121.372 (7)C36—H36A0.9700
C11—C141.529 (6)C36—H36B0.9700
C12—C131.388 (6)C37—N121.458 (4)
C12—H120.9300C37—N111.479 (4)
C13—H130.9300C37—H37A0.9700
C14—H14A0.9600C37—H37B0.9700
C14—H14B0.9600C38—N101.475 (4)
C14—H14C0.9600C38—N111.477 (4)
C15—C161.374 (5)C38—H38A0.9700
C15—C201.384 (5)C38—H38B0.9700
C15—S21.769 (4)C39—N121.463 (4)
C16—C171.373 (6)C39—N101.477 (4)
C16—H160.9300C39—H39A0.9700
C17—C181.364 (6)C39—H39B0.9700
C17—H170.9300O1'—O10.837 (7)
C18—C191.388 (7)O1'—S11.363 (7)
C18—C211.509 (6)O1—S11.469 (5)
C19—C201.379 (6)O2'—O20.956 (9)
C19—H190.9300O2'—S11.558 (10)
C20—H200.9300O2—S11.394 (6)
C21—H21A0.9600O2—O3'1.520 (10)
C21—H21B0.9600O1W—H1WA0.87 (2)
C21—H21C0.9600O1W—H1WB0.82 (2)
C22—N11.473 (4)O3'—O31.139 (9)
C22—N31.480 (4)O3'—S11.354 (8)
C22—H22A0.9700O3—S11.504 (6)
C22—H22B0.9700O2W—H2WA0.83 (2)
C23—N21.459 (4)O2W—H2WB0.84 (2)
C23—N11.486 (4)O4—S21.441 (3)
C23—H23A0.9700O3W—H3WA0.80 (2)
C23—H23B0.9700O3W—H3WB0.80 (2)
C24—N21.456 (4)O5—S21.446 (3)
C24—N41.487 (4)O4W—H4WA0.78 (2)
C24—H24A0.9700O4W—H4WB0.88 (2)
C24—H24B0.9700O6—S21.446 (3)
C25—N41.476 (4)O7'—O71.036 (11)
C25—N31.485 (4)O7'—S31.628 (12)
C25—H25A0.9700O7—S31.420 (6)
C25—H25B0.9700O7—O9'1.509 (12)
C26—N41.481 (4)O8—S31.389 (3)
C26—N11.482 (4)O9—O9'1.089 (11)
C26—H26A0.9700O9—S31.549 (5)
C26—H26B0.9700O9'—S31.296 (11)
C27—N21.460 (5)N3—Ag3iii2.315 (3)
C27—N31.489 (4)N7—Ag2iii2.365 (3)
C27—H27A0.9700N9—Ag1iv2.367 (2)
C27—H27B0.9700N10—Ag1iii2.388 (3)
C28—N51.474 (4)
N1—Ag1—N9i126.27 (9)N9—C34—H34B109.2
N1—Ag1—N10ii109.49 (8)H34A—C34—H34B107.9
N9i—Ag1—N10ii122.48 (8)N12—C35—N9112.4 (2)
N5—Ag2—N7ii125.05 (9)N12—C35—H35A109.1
N5—Ag2—N4115.03 (9)N9—C35—H35A109.1
N7ii—Ag2—N4119.83 (8)N12—C35—H35B109.1
N3ii—Ag3—N8126.79 (9)N9—C35—H35B109.1
N3ii—Ag3—N11113.74 (8)H35A—C35—H35B107.9
N8—Ag3—N11111.58 (9)N10—C36—N9111.9 (2)
N3ii—Ag3—O9119.04 (15)N10—C36—H36A109.2
N8—Ag3—O987.16 (14)N9—C36—H36A109.2
N11—Ag3—O989.64 (14)N10—C36—H36B109.2
N3ii—Ag3—O9'94.9 (3)N9—C36—H36B109.2
N8—Ag3—O9'96.3 (2)H36A—C36—H36B107.9
N11—Ag3—O9'108.0 (3)N12—C37—N11112.0 (3)
O9—Ag3—O9'25.4 (3)N12—C37—H37A109.2
C2—C1—C6119.2 (3)N11—C37—H37A109.2
C2—C1—S1121.3 (3)N12—C37—H37B109.2
C6—C1—S1119.5 (3)N11—C37—H37B109.2
C1—C2—C3119.6 (4)H37A—C37—H37B107.9
C1—C2—H2120.2N10—C38—N11112.6 (2)
C3—C2—H2120.2N10—C38—H38A109.1
C4—C3—C2122.1 (4)N11—C38—H38A109.1
C4—C3—H3119.0N10—C38—H38B109.1
C2—C3—H3119.0N11—C38—H38B109.1
C3—C4—C5117.3 (4)H38A—C38—H38B107.8
C3—C4—C7121.0 (4)N12—C39—N10111.9 (3)
C5—C4—C7121.7 (4)N12—C39—H39A109.2
C4—C5—C6122.2 (4)N10—C39—H39A109.2
C4—C5—H5118.9N12—C39—H39B109.2
C6—C5—H5118.9N10—C39—H39B109.2
C5—C6—C1119.5 (4)H39A—C39—H39B107.9
C5—C6—H6120.2O1—O1'—S179.9 (7)
C1—C6—H6120.2O1'—O1—S166.0 (6)
C4—C7—H7A109.5O2—O2'—S162.0 (7)
C4—C7—H7B109.5O2'—O2—S180.7 (7)
H7A—C7—H7B109.5O2'—O2—O3'135.4 (9)
C4—C7—H7C109.5S1—O2—O3'55.2 (4)
H7A—C7—H7C109.5H1WA—O1W—H1WB107 (3)
H7B—C7—H7C109.5O3—O3'—S173.6 (6)
C9—C8—C13119.8 (4)O3—O3'—O2127.6 (7)
C9—C8—S3120.6 (3)S1—O3'—O257.7 (4)
C13—C8—S3119.4 (3)O3'—O3—S159.8 (5)
C8—C9—C10119.4 (4)H2WA—O2W—H2WB109 (3)
C8—C9—H9120.3H3WA—O3W—H3WB113 (4)
C10—C9—H9120.3H4WA—O4W—H4WB104 (3)
C11—C10—C9121.3 (4)O7—O7'—S359.6 (7)
C11—C10—H10119.4O7'—O7—S381.4 (8)
C9—C10—H10119.4O7'—O7—O9'130.5 (10)
C12—C11—C10119.0 (4)S3—O7—O9'52.4 (5)
C12—C11—C14119.9 (6)O9'—O9—S355.6 (6)
C10—C11—C14121.1 (5)O9'—O9—Ag380.9 (7)
C11—C12—C13120.3 (5)S3—O9—Ag3134.4 (3)
C11—C12—H12119.9O9—O9'—S380.5 (8)
C13—C12—H12119.9O9—O9'—O7140.3 (10)
C8—C13—C12120.0 (4)S3—O9'—O760.2 (5)
C8—C13—H13120.0O9—O9'—Ag373.7 (6)
C12—C13—H13120.0S3—O9'—Ag3150.6 (7)
C11—C14—H14A109.5O7—O9'—Ag3141.3 (7)
C11—C14—H14B109.5O3'—S1—O1'122.4 (5)
H14A—C14—H14B109.5O3'—S1—O267.1 (4)
C11—C14—H14C109.5O1'—S1—O2136.8 (4)
H14A—C14—H14C109.5O3'—S1—O1143.2 (4)
H14B—C14—H14C109.5O1'—S1—O134.1 (3)
C16—C15—C20119.6 (4)O2—S1—O1110.5 (3)
C16—C15—S2121.0 (3)O3'—S1—O346.6 (4)
C20—C15—S2119.4 (3)O1'—S1—O380.0 (4)
C17—C16—C15120.0 (4)O2—S1—O3111.2 (3)
C17—C16—H16120.0O1—S1—O3111.8 (3)
C15—C16—H16120.0O3'—S1—O2'104.2 (5)
C18—C17—C16121.5 (4)O1'—S1—O2'111.7 (5)
C18—C17—H17119.2O2—S1—O2'37.3 (3)
C16—C17—H17119.2O1—S1—O2'78.6 (4)
C17—C18—C19118.4 (4)O3—S1—O2'144.1 (4)
C17—C18—C21121.7 (5)O3'—S1—C1108.2 (4)
C19—C18—C21119.8 (5)O1'—S1—C1107.0 (3)
C20—C19—C18120.9 (4)O2—S1—C1108.5 (3)
C20—C19—H19119.6O1—S1—C1107.1 (2)
C18—C19—H19119.6O3—S1—C1107.5 (2)
C19—C20—C15119.6 (4)O2'—S1—C1101.2 (4)
C19—C20—H20120.2O4—S2—O5112.7 (2)
C15—C20—H20120.2O4—S2—O6112.10 (18)
C18—C21—H21A109.5O5—S2—O6112.3 (2)
C18—C21—H21B109.5O4—S2—C15105.4 (2)
H21A—C21—H21B109.5O5—S2—C15106.32 (17)
C18—C21—H21C109.5O6—S2—C15107.46 (17)
H21A—C21—H21C109.5O9'—S3—O8126.5 (5)
H21B—C21—H21C109.5O9'—S3—O767.3 (6)
N1—C22—N3112.0 (2)O8—S3—O7122.3 (3)
N1—C22—H22A109.2O9'—S3—O943.9 (5)
N3—C22—H22A109.2O8—S3—O9104.8 (3)
N1—C22—H22B109.2O7—S3—O9111.0 (3)
N3—C22—H22B109.2O9'—S3—O7'104.5 (7)
H22A—C22—H22B107.9O8—S3—O7'90.8 (5)
N2—C23—N1111.8 (3)O7—S3—O7'39.0 (4)
N2—C23—H23A109.2O9—S3—O7'147.9 (5)
N1—C23—H23A109.2O9'—S3—C8116.8 (4)
N2—C23—H23B109.2O8—S3—C8108.9 (2)
N1—C23—H23B109.2O7—S3—C8108.6 (3)
H23A—C23—H23B107.9O9—S3—C898.7 (2)
N2—C24—N4111.3 (2)O7'—S3—C8102.5 (4)
N2—C24—H24A109.4C22—N1—C26108.0 (2)
N4—C24—H24A109.4C22—N1—C23107.7 (3)
N2—C24—H24B109.4C26—N1—C23108.4 (2)
N4—C24—H24B109.4C22—N1—Ag1108.63 (17)
H24A—C24—H24B108.0C26—N1—Ag1108.22 (18)
N4—C25—N3111.5 (2)C23—N1—Ag1115.60 (18)
N4—C25—H25A109.3C24—N2—C23109.5 (3)
N3—C25—H25A109.3C24—N2—C27108.7 (3)
N4—C25—H25B109.3C23—N2—C27108.8 (3)
N3—C25—H25B109.3C22—N3—C25108.1 (2)
H25A—C25—H25B108.0C22—N3—C27108.0 (2)
N4—C26—N1111.6 (2)C25—N3—C27107.9 (2)
N4—C26—H26A109.3C22—N3—Ag3iii108.95 (17)
N1—C26—H26A109.3C25—N3—Ag3iii108.15 (18)
N4—C26—H26B109.3C27—N3—Ag3iii115.50 (19)
N1—C26—H26B109.3C25—N4—C26107.6 (2)
H26A—C26—H26B108.0C25—N4—C24108.7 (3)
N2—C27—N3111.7 (3)C26—N4—C24108.8 (2)
N2—C27—H27A109.3C25—N4—Ag2113.34 (17)
N3—C27—H27A109.3C26—N4—Ag2104.51 (18)
N2—C27—H27B109.3C24—N4—Ag2113.63 (18)
N3—C27—H27B109.3C30—N5—C28107.9 (2)
H27A—C27—H27B107.9C30—N5—C29108.7 (2)
N5—C28—N7112.2 (2)C28—N5—C29108.7 (2)
N5—C28—H28A109.2C30—N5—Ag2113.08 (18)
N7—C28—H28A109.2C28—N5—Ag2109.63 (16)
N5—C28—H28B109.2C29—N5—Ag2108.77 (18)
N7—C28—H28B109.2C31—N6—C30108.2 (3)
H28A—C28—H28B107.9C31—N6—C33108.7 (3)
N8—C29—N5111.4 (2)C30—N6—C33108.7 (2)
N8—C29—H29A109.4C32—N7—C33107.9 (2)
N5—C29—H29A109.4C32—N7—C28107.5 (2)
N8—C29—H29B109.4C33—N7—C28107.4 (3)
N5—C29—H29B109.4C32—N7—Ag2iii107.44 (19)
H29A—C29—H29B108.0C33—N7—Ag2iii116.58 (19)
N6—C30—N5111.6 (3)C28—N7—Ag2iii109.70 (17)
N6—C30—H30A109.3C32—N8—C29107.9 (2)
N5—C30—H30A109.3C32—N8—C31108.6 (3)
N6—C30—H30B109.3C29—N8—C31107.4 (3)
N5—C30—H30B109.3C32—N8—Ag3106.1 (2)
H30A—C30—H30B108.0C29—N8—Ag3110.9 (2)
N6—C31—N8112.4 (2)C31—N8—Ag3115.70 (18)
N6—C31—H31A109.1C34—N9—C35107.7 (2)
N8—C31—H31A109.1C34—N9—C36107.9 (2)
N6—C31—H31B109.1C35—N9—C36107.8 (2)
N8—C31—H31B109.1C34—N9—Ag1iv106.83 (18)
H31A—C31—H31B107.9C35—N9—Ag1iv117.58 (17)
N8—C32—N7112.6 (3)C36—N9—Ag1iv108.72 (18)
N8—C32—H32A109.1C38—N10—C39108.0 (2)
N7—C32—H32A109.1C38—N10—C36107.7 (2)
N8—C32—H32B109.1C39—N10—C36108.3 (2)
N7—C32—H32B109.1C38—N10—Ag1iii111.35 (17)
H32A—C32—H32B107.8C39—N10—Ag1iii114.17 (19)
N6—C33—N7112.3 (3)C36—N10—Ag1iii107.13 (18)
N6—C33—H33A109.1C34—N11—C38107.6 (2)
N7—C33—H33A109.1C34—N11—C37108.5 (2)
N6—C33—H33B109.1C38—N11—C37107.9 (2)
N7—C33—H33B109.1C34—N11—Ag3109.81 (18)
H33A—C33—H33B107.9C38—N11—Ag3109.83 (16)
N11—C34—N9111.9 (2)C37—N11—Ag3113.03 (18)
N11—C34—H34A109.2C37—N12—C35108.2 (3)
N9—C34—H34A109.2C37—N12—C39109.0 (2)
N11—C34—H34B109.2C35—N12—C39108.9 (3)
C6—C1—C2—C30.2 (6)O7—O7'—S3—O926.1 (12)
S1—C1—C2—C3178.8 (3)O7—O7'—S3—C8−104.2 (6)
C1—C2—C3—C40.0 (6)C9—C8—S3—O9'−54.3 (7)
C2—C3—C4—C5−0.5 (6)C13—C8—S3—O9'121.2 (6)
C2—C3—C4—C7179.1 (4)C9—C8—S3—O8154.4 (3)
C3—C4—C5—C60.8 (7)C13—C8—S3—O8−30.1 (4)
C7—C4—C5—C6−178.8 (4)C9—C8—S3—O719.1 (4)
C4—C5—C6—C1−0.5 (7)C13—C8—S3—O7−165.4 (4)
C2—C1—C6—C50.0 (6)C9—C8—S3—O9−96.6 (4)
S1—C1—C6—C5−178.6 (3)C13—C8—S3—O978.9 (4)
C13—C8—C9—C10−2.0 (5)C9—C8—S3—O7'59.2 (5)
S3—C8—C9—C10173.5 (3)C13—C8—S3—O7'−125.3 (5)
C8—C9—C10—C11−1.2 (6)N3—C22—N1—C2658.5 (3)
C9—C10—C11—C123.7 (6)N3—C22—N1—C23−58.4 (3)
C9—C10—C11—C14−175.8 (4)N3—C22—N1—Ag1175.7 (2)
C10—C11—C12—C13−3.1 (7)N4—C26—N1—C22−59.4 (3)
C14—C11—C12—C13176.4 (4)N4—C26—N1—C2357.0 (3)
C9—C8—C13—C122.5 (6)N4—C26—N1—Ag1−176.8 (2)
S3—C8—C13—C12−173.0 (3)N2—C23—N1—C2259.0 (3)
C11—C12—C13—C80.0 (6)N2—C23—N1—C26−57.7 (3)
C20—C15—C16—C171.0 (6)N2—C23—N1—Ag1−179.3 (2)
S2—C15—C16—C17179.0 (3)N9i—Ag1—N1—C22−22.2 (2)
C15—C16—C17—C18−0.2 (6)N10ii—Ag1—N1—C22172.70 (19)
C16—C17—C18—C19−0.3 (7)N9i—Ag1—N1—C2694.8 (2)
C16—C17—C18—C21177.1 (4)N10ii—Ag1—N1—C26−70.3 (2)
C17—C18—C19—C20−0.1 (7)N9i—Ag1—N1—C23−143.4 (2)
C21—C18—C19—C20−177.5 (4)N10ii—Ag1—N1—C2351.5 (2)
C18—C19—C20—C150.8 (6)N4—C24—N2—C23−59.0 (4)
C16—C15—C20—C19−1.3 (6)N4—C24—N2—C2759.8 (3)
S2—C15—C20—C19−179.4 (3)N1—C23—N2—C2459.1 (4)
S1—O2'—O2—O3'7.9 (10)N1—C23—N2—C27−59.7 (3)
O2'—O2—O3'—O315.1 (17)N3—C27—N2—C24−60.2 (3)
S1—O2—O3'—O324.6 (8)N3—C27—N2—C2359.0 (3)
O2'—O2—O3'—S1−9.5 (12)N1—C22—N3—C25−58.4 (3)
O2—O3'—O3—S1−21.5 (6)N1—C22—N3—C2758.1 (3)
S3—O7'—O7—O9'−19.8 (9)N1—C22—N3—Ag3iii−175.7 (2)
N3ii—Ag3—O9—O9'−20.0 (6)N4—C25—N3—C2259.0 (3)
N8—Ag3—O9—O9'111.2 (6)N4—C25—N3—C27−57.6 (3)
N11—Ag3—O9—O9'−137.2 (6)N4—C25—N3—Ag3iii176.85 (19)
N3ii—Ag3—O9—S3−3.3 (4)N2—C27—N3—C22−58.0 (3)
N8—Ag3—O9—S3127.9 (4)N2—C27—N3—C2558.7 (3)
N11—Ag3—O9—S3−120.5 (4)N2—C27—N3—Ag3iii179.78 (19)
O9'—Ag3—O9—S316.7 (5)N3—C25—N4—C26−59.8 (3)
Ag3—O9—O9'—S3165.5 (4)N3—C25—N4—C2457.9 (3)
S3—O9—O9'—O7−8.3 (10)N3—C25—N4—Ag2−174.78 (18)
Ag3—O9—O9'—O7157.3 (14)N1—C26—N4—C2560.1 (3)
S3—O9—O9'—Ag3−165.5 (4)N1—C26—N4—C24−57.5 (3)
O7'—O7—O9'—O934 (2)N1—C26—N4—Ag2−179.2 (2)
S3—O7—O9'—O99.4 (12)N2—C24—N4—C25−58.8 (3)
O7'—O7—O9'—S325.1 (11)N2—C24—N4—C2658.1 (3)
O7'—O7—O9'—Ag3178.1 (10)N2—C24—N4—Ag2174.1 (2)
S3—O7—O9'—Ag3153.0 (11)N5—Ag2—N4—C25−39.8 (2)
N3ii—Ag3—O9'—O9162.5 (6)N7ii—Ag2—N4—C25136.98 (19)
N8—Ag3—O9'—O9−69.6 (6)N5—Ag2—N4—C26−156.63 (18)
N11—Ag3—O9'—O945.6 (6)N7ii—Ag2—N4—C2620.2 (2)
N3ii—Ag3—O9'—S3132.5 (14)N5—Ag2—N4—C2484.9 (2)
N8—Ag3—O9'—S3−99.6 (14)N7ii—Ag2—N4—C24−98.3 (2)
N11—Ag3—O9'—S315.5 (15)N6—C30—N5—C2859.2 (3)
O9—Ag3—O9'—S3−30.1 (10)N6—C30—N5—C29−58.5 (3)
N3ii—Ag3—O9'—O75.8 (10)N6—C30—N5—Ag2−179.4 (2)
N8—Ag3—O9'—O7133.7 (9)N7—C28—N5—C30−59.2 (3)
N11—Ag3—O9'—O7−111.2 (9)N7—C28—N5—C2958.5 (3)
O9—Ag3—O9'—O7−156.8 (14)N7—C28—N5—Ag2177.2 (2)
O3—O3'—S1—O1'−27.9 (7)N8—C29—N5—C3058.5 (3)
O2—O3'—S1—O1'132.0 (5)N8—C29—N5—C28−58.7 (3)
O3—O3'—S1—O2−159.9 (6)N8—C29—N5—Ag2−178.0 (2)
O3—O3'—S1—O1−65.9 (9)N7ii—Ag2—N5—C30115.7 (2)
O2—O3'—S1—O194.1 (7)N4—Ag2—N5—C30−67.7 (2)
O2—O3'—S1—O3159.9 (6)N7ii—Ag2—N5—C28−123.9 (2)
O3—O3'—S1—O2'−155.7 (5)N4—Ag2—N5—C2852.7 (2)
O2—O3'—S1—O2'4.2 (5)N7ii—Ag2—N5—C29−5.1 (2)
O3—O3'—S1—C197.2 (5)N4—Ag2—N5—C29171.48 (19)
O2—O3'—S1—C1−102.9 (3)N8—C31—N6—C30−59.7 (4)
O1—O1'—S1—O3'−138.9 (7)N8—C31—N6—C3358.1 (3)
O1—O1'—S1—O2−48.7 (9)N5—C30—N6—C3158.7 (4)
O1—O1'—S1—O3−159.1 (7)N5—C30—N6—C33−59.1 (4)
O1—O1'—S1—O2'−14.5 (8)N7—C33—N6—C31−58.9 (3)
O1—O1'—S1—C195.5 (6)N7—C33—N6—C3058.7 (4)
O2'—O2—S1—O3'173.3 (8)N8—C32—N7—C33−57.1 (3)
O2'—O2—S1—O1'59.7 (9)N8—C32—N7—C2858.5 (3)
O3'—O2—S1—O1'−113.6 (6)N8—C32—N7—Ag2iii176.5 (2)
O2'—O2—S1—O132.9 (7)N6—C33—N7—C3258.0 (3)
O3'—O2—S1—O1−140.3 (4)N6—C33—N7—C28−57.6 (3)
O2'—O2—S1—O3157.7 (7)N6—C33—N7—Ag2iii178.89 (19)
O3'—O2—S1—O3−15.5 (5)N5—C28—N7—C32−57.7 (4)
O3'—O2—S1—O2'−173.3 (8)N5—C28—N7—C3358.2 (3)
O2'—O2—S1—C1−84.2 (7)N5—C28—N7—Ag2iii−174.2 (2)
O3'—O2—S1—C1102.5 (4)N7—C32—N8—C29−59.4 (4)
O1'—O1—S1—O3'67.8 (10)N7—C32—N8—C3156.7 (3)
O1'—O1—S1—O2146.7 (6)N7—C32—N8—Ag3−178.3 (2)
O1'—O1—S1—O322.2 (7)N5—C29—N8—C3258.7 (4)
O1'—O1—S1—O2'166.3 (7)N5—C29—N8—C31−58.2 (3)
O1'—O1—S1—C1−95.3 (6)N5—C29—N8—Ag3174.5 (2)
O3'—O3—S1—O1'156.3 (6)N6—C31—N8—C32−57.1 (3)
O3'—O3—S1—O219.8 (6)N6—C31—N8—C2959.4 (3)
O3'—O3—S1—O1143.9 (5)N6—C31—N8—Ag3−176.2 (2)
O3'—O3—S1—O2'42.9 (9)N3ii—Ag3—N8—C32145.73 (18)
O3'—O3—S1—C1−98.8 (5)N11—Ag3—N8—C32−67.5 (2)
O2—O2'—S1—O3'−6.4 (8)O9—Ag3—N8—C3221.0 (2)
O2—O2'—S1—O1'−140.5 (6)O9'—Ag3—N8—C3244.7 (3)
O2—O2'—S1—O1−148.7 (7)N3ii—Ag3—N8—C2928.8 (2)
O2—O2'—S1—O3−37.1 (11)N11—Ag3—N8—C29175.6 (2)
O2—O2'—S1—C1105.9 (6)O9—Ag3—N8—C29−95.9 (2)
C2—C1—S1—O3'−3.4 (5)O9'—Ag3—N8—C29−72.2 (3)
C6—C1—S1—O3'175.2 (5)N3ii—Ag3—N8—C31−93.7 (2)
C2—C1—S1—O1'130.3 (4)N11—Ag3—N8—C3153.0 (2)
C6—C1—S1—O1'−51.1 (5)O9—Ag3—N8—C31141.5 (2)
C2—C1—S1—O2−74.7 (4)O9'—Ag3—N8—C31165.2 (3)
C6—C1—S1—O2103.9 (4)N11—C34—N9—C3557.2 (3)
C2—C1—S1—O1166.0 (4)N11—C34—N9—C36−59.0 (3)
C6—C1—S1—O1−15.4 (4)N11—C34—N9—Ag1iv−175.7 (2)
C2—C1—S1—O345.7 (4)N12—C35—N9—C34−58.5 (3)
C6—C1—S1—O3−135.7 (4)N12—C35—N9—C3657.6 (3)
C2—C1—S1—O2'−112.6 (5)N12—C35—N9—Ag1iv−179.08 (19)
C6—C1—S1—O2'66.0 (5)N10—C36—N9—C3458.6 (3)
C16—C15—S2—O4−109.5 (3)N10—C36—N9—C35−57.4 (3)
C20—C15—S2—O468.6 (3)N10—C36—N9—Ag1iv174.05 (17)
C16—C15—S2—O510.3 (4)N11—C38—N10—C39−57.6 (3)
C20—C15—S2—O5−171.6 (3)N11—C38—N10—C3659.1 (3)
C16—C15—S2—O6130.8 (3)N11—C38—N10—Ag1iii176.3 (2)
C20—C15—S2—O6−51.1 (3)N12—C39—N10—C3857.8 (3)
O9—O9'—S3—O871.8 (8)N12—C39—N10—C36−58.6 (3)
O7—O9'—S3—O8−114.3 (5)N12—C39—N10—Ag1iii−177.78 (18)
Ag3—O9'—S3—O8101.0 (13)N9—C36—N10—C38−58.4 (3)
O9—O9'—S3—O7−173.9 (8)N9—C36—N10—C3958.1 (3)
Ag3—O9'—S3—O7−144.8 (15)N9—C36—N10—Ag1iii−178.29 (18)
O7—O9'—S3—O9173.9 (8)N9—C34—N11—C3859.0 (3)
Ag3—O9'—S3—O929.2 (10)N9—C34—N11—C37−57.5 (3)
O9—O9'—S3—O7'173.8 (6)N9—C34—N11—Ag3178.53 (19)
O7—O9'—S3—O7'−12.2 (6)N10—C38—N11—C34−59.3 (3)
Ag3—O9'—S3—O7'−157.0 (13)N10—C38—N11—C3757.6 (3)
O9—O9'—S3—C8−73.8 (7)N10—C38—N11—Ag3−178.8 (2)
O7—O9'—S3—C8100.2 (4)N12—C37—N11—C3458.4 (3)
Ag3—O9'—S3—C8−44.6 (15)N12—C37—N11—C38−57.9 (3)
O7'—O7—S3—O9'−161.0 (9)N12—C37—N11—Ag3−179.5 (2)
O7'—O7—S3—O8−41.1 (8)N3ii—Ag3—N11—C3466.1 (2)
O9'—O7—S3—O8119.9 (5)N8—Ag3—N11—C34−85.2 (2)
O7'—O7—S3—O9−165.5 (7)O9—Ag3—N11—C34−172.0 (2)
O9'—O7—S3—O9−4.5 (6)O9'—Ag3—N11—C34170.1 (3)
O9'—O7—S3—O7'161.0 (9)N3ii—Ag3—N11—C38−175.77 (19)
O7'—O7—S3—C887.0 (7)N8—Ag3—N11—C3832.9 (2)
O9'—O7—S3—C8−112.0 (5)O9—Ag3—N11—C38−53.9 (2)
Ag3—O9—S3—O9'−20.2 (6)O9'—Ag3—N11—C38−71.8 (3)
O9'—O9—S3—O8−127.9 (7)N3ii—Ag3—N11—C37−55.2 (2)
Ag3—O9—S3—O8−148.0 (3)N8—Ag3—N11—C37153.4 (2)
O9'—O9—S3—O76.0 (7)O9—Ag3—N11—C3766.6 (2)
Ag3—O9—S3—O7−14.2 (5)O9'—Ag3—N11—C3748.8 (3)
O9'—O9—S3—O7'−11.3 (11)N11—C37—N12—C35−59.2 (3)
Ag3—O9—S3—O7'−31.5 (10)N11—C37—N12—C3959.1 (3)
O9'—O9—S3—C8119.9 (7)N9—C35—N12—C3759.7 (3)
Ag3—O9—S3—C899.7 (4)N9—C35—N12—C39−58.6 (3)
O7—O7'—S3—O9'18.1 (8)N10—C39—N12—C37−59.0 (3)
O7—O7'—S3—O8146.3 (6)N10—C39—N12—C3558.8 (3)

Symmetry codes: (i) x−1, y, z; (ii) −x+3/2, y−1/2, −z+3/2; (iii) −x+3/2, y+1/2, −z+3/2; (iv) x+1, y, z.

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O1W—H1WA···O8ii0.87 (2)1.92 (2)2.782 (5)175 (4)
O1W—H1WB···O6ii0.82 (2)2.10 (2)2.907 (4)166 (4)
O2W—H2WA···O5iii0.83 (2)2.16 (2)2.958 (4)163 (4)
O2W—H2WB···O1iv0.84 (2)1.83 (3)2.612 (6)155 (4)
O3W—H3WA···O2v0.80 (2)2.45 (3)3.096 (7)139 (4)
O3W—H3WB···O50.80 (2)2.15 (2)2.908 (5)160 (4)
O4W—H4WB···O7iii0.88 (2)1.99 (3)2.838 (7)160 (4)

Symmetry codes: (ii) −x+3/2, y−1/2, −z+3/2; (iii) −x+3/2, y+1/2, −z+3/2; (iv) x+1, y, z; (v) −x+1/2, y+1/2, −z+3/2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5739).

References

  • Côté, A. P. & Shimizu, G. K. H. (2003). Coord. Chem. Rev., 245, 49-64.
  • Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED Oxford Diffraction Ltd, Abingdon, England.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Zhang, S.-L., Tong, M.-L., Fu, R.-W., Cheng, X.-M. & Ng, S.-W. (2001). Inorg. Chem.40, 3562–3569. [PubMed]

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