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metal-organic compounds
In the layer structure of the title polymeric complex, {[Ag2(C7H5O6S)2(H2O)3]·H2O}n, both substituted benzenesulfonate anions use two of their sulfonyl O atoms to link to three Ag atoms and their double-bond carbonyl O atom to another Ag atom in a μ4-bonding mode. The two symmetry-independent Ag atoms are coordinated by water molecules, one by one water molecule and the other by two water molecules so that one Ag atom is five- and the other six-coordinate.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805000504/bt6578sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805000504/bt6578Isup2.hkl |
CCDC reference: 263546
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.004 Å
- R factor = 0.028
- wR factor = 0.074
- Data-to-parameter ratio = 13.6
checkCIF/PLATON results
No syntax errors found
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.316 0.668 Tmin' and Tmax expected: 0.439 0.669 RR' = 0.720 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.70
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.03 Ratio PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8 PLAT731_ALERT_1_C Bond Calc 0.86(4), Rep 0.850(10) ...... 4.00 su-Rat O4 -H4O 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O6 -H6O 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O10 -H10O 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O12 -H12O 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O1W -H1W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O2W -H2W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H3W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O4W -H4W1 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.86(4), Rep 0.850(10) ...... 4.00 su-Rat O4 -H4O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O6 -H6O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O10 -H10O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O12 -H12O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O1W -H2# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O2W -H4# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O3W -H6# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O4W -H7# 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.77(3), Rep 1.770(10) ...... 3.00 su-Rat H6O -O3W 1.555 2.777 PLAT736_ALERT_1_C H...A Calc 1.88(4), Rep 1.890(10) ...... 4.00 su-Rat H6# -O1W 1.555 2.676 PLAT736_ALERT_1_C H...A Calc 2.00(3), Rep 2.000(10) ...... 3.00 su-Rat H7# -O9 1.555 1.455 PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ ! PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ !
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 23 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 19 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Poly[[triaquadisilver(I)]bis[µ4-3-carboxy-4-hydroxybenzenesulfonato]
monohydrate] top
Crystal data top
[Ag2(C7H5O6S)2(H2O)3]·H2O | Z = 2 |
Mr = 722.14 | F(000) = 712 |
Triclinic, P1 | Dx = 2.252 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.309 (1) Å | Cell parameters from 8670 reflections |
b = 11.264 (2) Å | θ = 3.2–27.4° |
c = 12.611 (2) Å | µ = 2.12 mm−1 |
α = 112.743 (6)° | T = 295 K |
β = 97.608 (7)° | Block, colorless |
γ = 95.516 (7)° | 0.38 × 0.26 × 0.19 mm |
V = 1064.9 (3) Å3 |
Data collection top
Rigaku R-AXIS-RAPID diffractometer | 4829 independent reflections |
Radiation source: fine-focus sealed tube | 4464 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
ω scans | θmax = 27.4°, θmin = 3.2° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −10→10 |
Tmin = 0.316, Tmax = 0.668 | k = −14→14 |
10379 measured reflections | l = −16→16 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.028 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.074 | w = 1/[σ2(Fo2) + (0.0411P)2 + 1.1907P] where P = (Fo2 + 2Fc2)/3 |
S = 1.00 | (Δ/σ)max = 0.001 |
4829 reflections | Δρmax = 1.11 e Å−3 |
356 parameters | Δρmin = −1.04 e Å−3 |
16 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.070 (2) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.52516 (3) | 0.56586 (2) | 0.380653 (18) | 0.0414 (1) | |
Ag2 | 0.91174 (3) | 0.97340 (2) | 0.62508 (2) | 0.0398 (1) | |
S1 | 0.84399 (8) | 0.65784 (6) | 0.62869 (5) | 0.0290 (1) | |
S2 | 1.32987 (7) | 1.13100 (6) | 0.63031 (5) | 0.0280 (1) | |
O1 | 0.6839 (3) | 0.5850 (2) | 0.5591 (2) | 0.0395 (4) | |
O2 | 0.9252 (3) | 0.7361 (2) | 0.5757 (2) | 0.0400 (4) | |
O3 | 0.9500 (2) | 0.5747 (2) | 0.6581 (2) | 0.0365 (4) | |
O4 | 0.7099 (3) | 1.0423 (2) | 1.0677 (2) | 0.0479 (5) | |
O5 | 0.9347 (3) | 0.9642 (2) | 1.1794 (2) | 0.0389 (4) | |
O6 | 1.0574 (3) | 0.8000 (2) | 1.0750 (2) | 0.0404 (5) | |
O7 | 1.1689 (2) | 1.0499 (2) | 0.5705 (2) | 0.0400 (5) | |
O8 | 1.3978 (3) | 1.1925 (2) | 0.5608 (2) | 0.0420 (5) | |
O9 | 1.4407 (2) | 1.0572 (2) | 0.6696 (2) | 0.0381 (4) | |
O10 | 1.2007 (3) | 1.5483 (2) | 1.0521 (2) | 0.0484 (5) | |
O11 | 1.4136 (3) | 1.4757 (2) | 1.1741 (2) | 0.0425 (5) | |
O12 | 1.5437 (3) | 1.3111 (2) | 1.0824 (2) | 0.0404 (5) | |
O1w | 0.2464 (3) | 0.6562 (2) | 0.3676 (2) | 0.0502 (5) | |
O2w | 0.6997 (3) | 0.3771 (2) | 0.2946 (2) | 0.0414 (5) | |
O3w | 0.7707 (3) | 1.1588 (2) | 0.7207 (2) | 0.0380 (4) | |
O4w | 0.2744 (3) | 0.8000 (2) | 0.6073 (3) | 0.0549 (6) | |
C1 | 0.8036 (3) | 0.7688 (2) | 0.7616 (2) | 0.0275 (5) | |
C2 | 0.6848 (3) | 0.8493 (3) | 0.7593 (2) | 0.0330 (5) | |
C3 | 0.6554 (3) | 0.9392 (3) | 0.8624 (3) | 0.0377 (6) | |
C4 | 0.7429 (3) | 0.9518 (3) | 0.9699 (2) | 0.0330 (5) | |
C5 | 0.8606 (3) | 0.8706 (2) | 0.9723 (2) | 0.0277 (5) | |
C6 | 0.8898 (3) | 0.7796 (2) | 0.8669 (2) | 0.0274 (5) | |
C7 | 0.9545 (3) | 0.8822 (3) | 1.0847 (2) | 0.0299 (5) | |
C8 | 1.2953 (3) | 1.2560 (2) | 0.7580 (2) | 0.0269 (5) | |
C9 | 1.1806 (3) | 1.3366 (3) | 0.7483 (2) | 0.0331 (5) | |
C10 | 1.1508 (3) | 1.4332 (3) | 0.8477 (3) | 0.0372 (6) | |
C11 | 1.2344 (3) | 1.4521 (3) | 0.9582 (2) | 0.0316 (5) | |
C12 | 1.3503 (3) | 1.3713 (2) | 0.9675 (2) | 0.0279 (5) | |
C13 | 1.3789 (3) | 1.2735 (2) | 0.8661 (2) | 0.0275 (5) | |
C14 | 1.4386 (3) | 1.3902 (3) | 1.0836 (2) | 0.0304 (5) | |
H4o | 0.776 (4) | 1.033 (4) | 1.121 (3) | 0.05 (1)* | |
H6o | 1.116 (4) | 0.815 (4) | 1.141 (2) | 0.05 (1)* | |
H10o | 1.268 (4) | 1.542 (4) | 1.106 (3) | 0.05 (1)* | |
H12o | 1.600 (4) | 1.332 (4) | 1.150 (2) | 0.05 (1)* | |
H1w1 | 0.259 (5) | 0.700 (3) | 0.441 (1) | 0.06 (1)* | |
H1w2 | 0.178 (5) | 0.587 (3) | 0.347 (3) | 0.10 (2)* | |
H2w1 | 0.802 (2) | 0.400 (3) | 0.298 (3) | 0.06 (1)* | |
H2w2 | 0.688 (4) | 0.317 (3) | 0.319 (3) | 0.06 (1)* | |
H3w1 | 0.670 (2) | 1.128 (3) | 0.710 (3) | 0.04 (1)* | |
H3w2 | 0.779 (4) | 1.221 (3) | 0.698 (3) | 0.06 (1)* | |
H4w1 | 0.317 (4) | 0.877 (2) | 0.619 (4) | 0.08 (2)* | |
H4w2 | 0.170 (1) | 0.796 (4) | 0.600 (4) | 0.08 (2)* | |
H2 | 0.6264 | 0.8417 | 0.6881 | 0.040* | |
H3 | 0.5768 | 0.9921 | 0.8606 | 0.045* | |
H6 | 0.9678 | 0.7259 | 0.8679 | 0.033* | |
H9 | 1.1250 | 1.3249 | 0.6751 | 0.040* | |
H10 | 1.0744 | 1.4864 | 0.8413 | 0.045* | |
H13 | 1.4550 | 1.2198 | 0.8715 | 0.033* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0479 (2) | 0.0431 (1) | 0.0282 (1) | 0.0033 (1) | −0.0046 (1) | 0.0138 (1) |
Ag2 | 0.0452 (1) | 0.0456 (2) | 0.0266 (1) | 0.0061 (1) | 0.0029 (1) | 0.0139 (1) |
S1 | 0.0307 (3) | 0.0289 (3) | 0.0252 (3) | −0.0010 (2) | −0.0018 (2) | 0.0123 (2) |
S2 | 0.0267 (3) | 0.0294 (3) | 0.0235 (3) | −0.0004 (2) | −0.0013 (2) | 0.0091 (2) |
O1 | 0.041 (1) | 0.038 (1) | 0.031 (1) | −0.006 (1) | −0.009 (1) | 0.012 (1) |
O2 | 0.047 (1) | 0.041 (1) | 0.038 (1) | 0.003 (1) | 0.012 (1) | 0.021 (1) |
O3 | 0.039 (1) | 0.032 (1) | 0.036 (1) | 0.006 (1) | −0.001 (1) | 0.013 (1) |
O4 | 0.048 (1) | 0.058 (1) | 0.038 (1) | 0.022 (1) | 0.013 (1) | 0.015 (1) |
O5 | 0.042 (1) | 0.045 (1) | 0.027 (1) | 0.002 (1) | 0.002 (1) | 0.014 (1) |
O6 | 0.048 (1) | 0.040 (1) | 0.031 (1) | 0.010 (1) | −0.004 (1) | 0.016 (1) |
O7 | 0.033 (1) | 0.045 (1) | 0.029 (1) | −0.008 (1) | −0.005 (1) | 0.008 (1) |
O8 | 0.049 (1) | 0.043 (1) | 0.039 (1) | 0.006 (1) | 0.016 (1) | 0.020 (1) |
O9 | 0.041 (1) | 0.033 (1) | 0.034 (1) | 0.008 (1) | −0.004 (1) | 0.009 (1) |
O10 | 0.050 (1) | 0.051 (1) | 0.039 (1) | 0.020 (1) | 0.009 (1) | 0.010 (1) |
O11 | 0.048 (1) | 0.046 (1) | 0.027 (1) | 0.005 (1) | 0.003 (1) | 0.010 (1) |
O12 | 0.048 (1) | 0.041 (1) | 0.029 (1) | 0.009 (1) | −0.004 (1) | 0.014 (1) |
O1w | 0.055 (1) | 0.038 (1) | 0.056 (2) | −0.002 (1) | 0.004 (1) | 0.022 (1) |
O2w | 0.043 (1) | 0.048 (1) | 0.036 (1) | 0.003 (1) | −0.002 (1) | 0.023 (1) |
O3w | 0.037 (1) | 0.043 (1) | 0.036 (1) | 0.006 (1) | −0.002 (1) | 0.021 (1) |
O4w | 0.048 (1) | 0.044 (1) | 0.079 (2) | 0.004 (1) | 0.003 (1) | 0.035 (1) |
C1 | 0.027 (1) | 0.028 (1) | 0.0258 (11) | −0.002 (1) | 0.001 (1) | 0.0122 (9) |
C2 | 0.026 (1) | 0.043 (1) | 0.032 (1) | 0.004 (1) | 0.000 (1) | 0.020 (1) |
C3 | 0.029 (1) | 0.046 (2) | 0.044 (2) | 0.010 (1) | 0.005 (1) | 0.024 (1) |
C4 | 0.029 (1) | 0.036 (1) | 0.034 (1) | 0.004 (1) | 0.009 (1) | 0.014 (1) |
C5 | 0.025 (1) | 0.030 (1) | 0.027 (1) | −0.002 (1) | 0.000 (1) | 0.014 (1) |
C6 | 0.028 (1) | 0.027 (1) | 0.027 (1) | 0.001 (1) | −0.001 (1) | 0.013 (1) |
C7 | 0.029 (1) | 0.031 (1) | 0.029 (1) | −0.005 (1) | 0.001 (1) | 0.015 (1) |
C8 | 0.028 (1) | 0.026 (1) | 0.025 (1) | 0.001 (1) | 0.002 (1) | 0.010 (1) |
C9 | 0.029 (1) | 0.038 (1) | 0.032 (1) | 0.004 (1) | −0.002 (1) | 0.016 (1) |
C10 | 0.034 (1) | 0.043 (2) | 0.040 (1) | 0.014 (1) | 0.006 (1) | 0.020 (1) |
C11 | 0.030 (1) | 0.031 (1) | 0.033 (1) | 0.004 (1) | 0.006 (1) | 0.012 (1) |
C12 | 0.028 (1) | 0.028 (1) | 0.027 (1) | −0.001 (1) | 0.001 (1) | 0.013 (1) |
C13 | 0.027 (1) | 0.024 (1) | 0.028 (1) | −0.001 (1) | −0.001 (1) | 0.010 (1) |
C14 | 0.031 (1) | 0.031 (1) | 0.027 (1) | −0.003 (1) | 0.002 (1) | 0.013 (1) |
Geometric parameters (Å, º) top
Ag1—O1 | 2.374 (2) | C4—C5 | 1.406 (4) |
Ag1—O1i | 2.695 (2) | C5—C6 | 1.398 (4) |
Ag1—O8ii | 2.520 (2) | C5—C7 | 1.477 (3) |
Ag1—O11iii | 2.411 (2) | C8—C13 | 1.376 (3) |
Ag1—O1w | 2.629 (3) | C8—C9 | 1.404 (4) |
Ag1—O2w | 2.651 (2) | C9—C10 | 1.377 (4) |
Ag2—O2 | 2.517 (2) | C10—C11 | 1.399 (4) |
Ag2—O5iv | 2.420 (2) | C11—C12 | 1.410 (4) |
Ag2—O7 | 2.505 (2) | C12—C13 | 1.396 (4) |
Ag2—O7ii | 2.373 (2) | C12—C14 | 1.474 (3) |
Ag2—O3w | 2.467 (2) | O4—H4o | 0.85 (1) |
S1—O3 | 1.460 (2) | O6—H6o | 0.85 (1) |
S1—O1 | 1.462 (2) | O10—H10o | 0.85 (1) |
S1—O2 | 1.463 (2) | O12—H12o | 0.85 (1) |
S1—C1 | 1.759 (3) | O1w—H1w1 | 0.85 (1) |
S2—O8 | 1.446 (2) | O1w—H1w2 | 0.85 (1) |
S2—O9 | 1.459 (2) | O2w—H2w1 | 0.85 (1) |
S2—O7 | 1.469 (2) | O2w—H2w2 | 0.85 (1) |
S2—C8 | 1.762 (3) | O3w—H3w1 | 0.85 (1) |
O4—C4 | 1.345 (3) | O3w—H3w2 | 0.85 (1) |
O5—C7 | 1.239 (3) | O4w—H4w1 | 0.85 (1) |
O6—C7 | 1.302 (3) | O4w—H4w2 | 0.85 (1) |
O10—C11 | 1.345 (3) | C2—H2 | 0.93 |
O11—C14 | 1.235 (3) | C3—H3 | 0.93 |
O12—C14 | 1.304 (3) | C6—H6 | 0.93 |
C1—C6 | 1.377 (3) | C9—H9 | 0.93 |
C1—C2 | 1.408 (4) | C10—H10 | 0.93 |
C2—C3 | 1.374 (4) | C13—H13 | 0.93 |
C3—C4 | 1.399 (4) | ||
O1—Ag1—O1i | 80.07 (7) | O4—C4—C5 | 122.6 (2) |
O1—Ag1—O8ii | 90.15 (7) | C3—C4—C5 | 119.6 (2) |
O1—Ag1—O11iii | 158.51 (8) | C6—C5—C4 | 119.4 (2) |
O1—Ag1—O1w | 123.46 (8) | C6—C5—C7 | 120.0 (2) |
O1—Ag1—O2w | 81.31 (7) | C4—C5—C7 | 120.5 (2) |
O1i—Ag1—O8ii | 135.29 (7) | C1—C6—C5 | 120.4 (2) |
O1i—Ag1—O11iii | 97.81 (7) | O5—C7—O6 | 123.9 (2) |
O1i—Ag1—O1w | 75.70 (7) | O5—C7—C5 | 121.6 (2) |
O1i—Ag1—O2w | 92.68 (7) | O6—C7—C5 | 114.5 (2) |
O8ii—Ag1—O11iii | 105.60 (7) | C13—C8—C9 | 120.4 (2) |
O8ii—Ag1—O1w | 73.95 (7) | C13—C8—S2 | 120.3 (2) |
O8ii—Ag1—O2w | 129.05 (7) | C9—C8—S2 | 119.3 (2) |
O11iii—Ag1—O1w | 75.84 (8) | C10—C9—C8 | 119.7 (2) |
O11iii—Ag1—O2w | 77.42 (7) | C9—C10—C11 | 120.6 (2) |
O1w—Ag1—O2w | 148.95 (7) | O10—C11—C10 | 117.9 (2) |
O2—Ag2—O5iv | 91.56 (7) | O10—C11—C12 | 122.6 (2) |
O2—Ag2—O7 | 102.94 (7) | C10—C11—C12 | 119.5 (2) |
O2—Ag2—O7ii | 96.13 (7) | C13—C12—C11 | 119.3 (2) |
O2—Ag2—O3w | 146.10 (7) | C13—C12—C14 | 120.8 (2) |
O5iv—Ag2—O7 | 88.40 (7) | C11—C12—C14 | 119.9 (2) |
O5iv—Ag2—O7ii | 162.89 (7) | C8—C13—C12 | 120.5 (2) |
O5iv—Ag2—O3w | 83.95 (7) | O11—C14—O12 | 123.5 (2) |
O7—Ag2—O7ii | 75.01 (7) | O11—C14—C12 | 121.5 (2) |
O7—Ag2—O3w | 110.47 (7) | O12—C14—C12 | 115.0 (2) |
O7ii—Ag2—O3w | 97.79 (7) | C4—O4—H4o | 102 (3) |
O3—S1—O1 | 112.3 (1) | C7—O6—H6o | 111 (3) |
O3—S1—O2 | 112.5 (1) | C11—O10—H10o | 100 (3) |
O1—S1—O2 | 112.6 (1) | C14—O12—H12o | 111 (3) |
O3—S1—C1 | 106.6 (1) | Ag1—O1w—H1w1 | 94 (3) |
O1—S1—C1 | 105.9 (1) | Ag1—O1w—H1w2 | 100 (4) |
O2—S1—C1 | 106.4 (1) | H1w1—O1w—H1w2 | 110 (2) |
O8—S2—O9 | 113.8 (1) | Ag1—O2w—H2w1 | 117 (3) |
O8—S2—O7 | 112.0 (1) | Ag1—O2w—H2w2 | 115 (3) |
O9—S2—O7 | 110.8 (1) | H2w1—O2w—H2w2 | 109 (2) |
O8—S2—C8 | 107.5 (1) | Ag2—O3w—H3w1 | 107 (2) |
O9—S2—C8 | 106.1 (1) | Ag2—O3w—H3w2 | 117 (3) |
O7—S2—C8 | 106.3 (1) | H3w1—O3w—H3w2 | 109 (2) |
S1—O1—Ag1 | 134.6 (1) | H4w1—O4w—H4w2 | 109 (2) |
S1—O2—Ag2 | 125.0 (1) | C3—C2—H2 | 120.1 |
C7—O5—Ag2iv | 130.0 (2) | C1—C2—H2 | 120.1 |
S2—O7—Ag2ii | 114.6 (1) | C2—C3—H3 | 119.7 |
S2—O7—Ag2 | 137.9 (1) | C4—C3—H3 | 119.7 |
Ag2ii—O7—Ag2 | 104.99 (7) | C1—C6—H6 | 119.8 |
S2—O8—Ag1ii | 126.2 (1) | C5—C6—H6 | 119.8 |
C14—O11—Ag1v | 137.8 (2) | C10—C9—H9 | 120.2 |
C6—C1—C2 | 120.2 (2) | C8—C9—H9 | 120.2 |
C6—C1—S1 | 120.6 (2) | C9—C10—H10 | 119.7 |
C2—C1—S1 | 119.15 (19) | C11—C10—H10 | 119.7 |
C3—C2—C1 | 119.8 (2) | C8—C13—H13 | 119.8 |
C2—C3—C4 | 120.6 (3) | C12—C13—H13 | 119.8 |
O4—C4—C3 | 117.9 (3) | ||
O3—S1—O1—Ag1 | −128.7 (2) | C2—C3—C4—O4 | 179.4 (3) |
O2—S1—O1—Ag1 | −0.5 (2) | C2—C3—C4—C5 | −0.6 (4) |
C1—S1—O1—Ag1 | 115.4 (2) | O4—C4—C5—C6 | −179.3 (2) |
O11iii—Ag1—O1—S1 | 96.8 (2) | C3—C4—C5—C6 | 0.7 (4) |
O8ii—Ag1—O1—S1 | −41.0 (2) | O4—C4—C5—C7 | 0.0 (4) |
O1w—Ag1—O1—S1 | −111.7 (2) | C3—C4—C5—C7 | 180.0 (2) |
O2w—Ag1—O1—S1 | 88.6 (2) | C2—C1—C6—C5 | −0.2 (4) |
O1i—Ag1—O1—S1 | −177.1 (2) | S1—C1—C6—C5 | 178.07 (18) |
O3—S1—O2—Ag2 | −136.8 (1) | C4—C5—C6—C1 | −0.3 (4) |
O1—S1—O2—Ag2 | 95.1 (2) | C7—C5—C6—C1 | −179.6 (2) |
C1—S1—O2—Ag2 | −20.5 (2) | Ag2iv—O5—C7—O6 | 8.3 (4) |
O7ii—Ag2—O2—S1 | −128.5 (2) | Ag2iv—O5—C7—C5 | −171.7 (2) |
O5iv—Ag2—O2—S1 | 66.8 (2) | C6—C5—C7—O5 | 178.1 (2) |
O3w—Ag2—O2—S1 | −14.7 (2) | C4—C5—C7—O5 | −1.2 (4) |
O7—Ag2—O2—S1 | 155.5 (1) | C6—C5—C7—O6 | −1.9 (3) |
O8—S2—O7—Ag2ii | 6.65 (17) | C4—C5—C7—O6 | 178.8 (2) |
O9—S2—O7—Ag2ii | −121.5 (1) | O8—S2—C8—C13 | −116.9 (2) |
C8—S2—O7—Ag2ii | 123.7 (1) | O9—S2—C8—C13 | 5.2 (2) |
O8—S2—O7—Ag2 | −151.8 (2) | O7—S2—C8—C13 | 123.1 (2) |
O9—S2—O7—Ag2 | 80.1 (2) | O8—S2—C8—C9 | 63.7 (2) |
C8—S2—O7—Ag2 | −34.8 (2) | O9—S2—C8—C9 | −174.3 (2) |
O7ii—Ag2—O7—S2 | 159.8 (3) | O7—S2—C8—C9 | −56.4 (2) |
O5iv—Ag2—O7—S2 | −16.0 (2) | C13—C8—C9—C10 | −0.5 (4) |
O3w—Ag2—O7—S2 | 66.9 (2) | S2—C8—C9—C10 | 179.0 (2) |
O2—Ag2—O7—S2 | −107.2 (2) | C8—C9—C10—C11 | 0.3 (4) |
O7ii—Ag2—O7—Ag2ii | 0.0 | C9—C10—C11—O10 | 179.7 (3) |
O5iv—Ag2—O7—Ag2ii | −175.79 (9) | C9—C10—C11—C12 | 0.1 (4) |
O3w—Ag2—O7—Ag2ii | −92.86 (9) | O10—C11—C12—C13 | −179.9 (2) |
O2—Ag2—O7—Ag2ii | 92.98 (9) | C10—C11—C12—C13 | −0.3 (4) |
O9—S2—O8—Ag1ii | −112.5 (2) | O10—C11—C12—C14 | 0.5 (4) |
O7—S2—O8—Ag1ii | 121.0 (2) | C10—C11—C12—C14 | −179.9 (2) |
C8—S2—O8—Ag1ii | 4.7 (2) | C9—C8—C13—C12 | 0.3 (4) |
O3—S1—C1—C6 | 10.8 (2) | S2—C8—C13—C12 | −179.17 (18) |
O1—S1—C1—C6 | 130.6 (2) | C11—C12—C13—C8 | 0.1 (4) |
O2—S1—C1—C6 | −109.4 (2) | C14—C12—C13—C8 | 179.6 (2) |
O3—S1—C1—C2 | −170.9 (2) | Ag1v—O11—C14—O12 | 5.6 (4) |
O1—S1—C1—C2 | −51.1 (2) | Ag1v—O11—C14—C12 | −174.1 (2) |
O2—S1—C1—C2 | 68.9 (2) | C13—C12—C14—O11 | −179.4 (2) |
C6—C1—C2—C3 | 0.2 (4) | C11—C12—C14—O11 | 0.1 (4) |
S1—C1—C2—C3 | −178.0 (2) | C13—C12—C14—O12 | 0.8 (3) |
C1—C2—C3—C4 | 0.2 (4) | C11—C12—C14—O12 | −179.6 (2) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+2, −y+2, −z+1; (iii) x−1, y−1, z−1; (iv) −x+2, −y+2, −z+2; (v) x+1, y+1, z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4o···O5 | 0.85 (1) | 1.81 (2) | 2.612 (3) | 156 (4) |
O6—H6o···O3wiv | 0.85 (1) | 1.77 (1) | 2.621 (3) | 177 (4) |
O10—H10o···O11 | 0.85 (1) | 1.77 (2) | 2.587 (3) | 159 (4) |
O12—H12o···O2wv | 0.85 (1) | 1.76 (1) | 2.599 (3) | 174 (4) |
O1w—H1w1···O4w | 0.85 (1) | 1.94 (1) | 2.787 (4) | 177 (4) |
O1w—H1w2···O3i | 0.85 (1) | 1.99 (2) | 2.815 (3) | 164 (5) |
O2w—H2w1···O3vi | 0.85 (1) | 2.03 (2) | 2.847 (3) | 162 (3) |
O2w—H2w2···O4wi | 0.85 (1) | 1.91 (2) | 2.734 (3) | 164 (3) |
O3w—H3w1···O9vii | 0.85 (1) | 1.91 (1) | 2.757 (3) | 174 (3) |
O3w—H3w2···O1wviii | 0.85 (1) | 1.89 (1) | 2.722 (3) | 169 (3) |
O4w—H4w2···O2vii | 0.85 (1) | 2.03 (1) | 2.858 (3) | 165 (4) |
O4w—H4w1···O9vii | 0.85 (1) | 2.00 (1) | 2.847 (3) | 170 (5) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (iv) −x+2, −y+2, −z+2; (v) x+1, y+1, z+1; (vi) −x+2, −y+1, −z+1; (vii) x−1, y, z; (viii) −x+1, −y+2, −z+1. |
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