metal-organic compounds
The 1,10-phenanthroline heterocycle in the centrosymmetric four-molecule aggregate [Sn(C2O2Cl3)(C6H5)3(H2O)]2·2C12H8N2 interacts with the water molecule of the trans-C3SnO2 trigonal-bipyramidal aquacarboxylatotriorganotin molecule through the coordinated water molecule through hydrogen bonds [OwaterN = 2.755 (2) and 2.758 (2) Å].
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015939/bt6308sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015939/bt6308Isup2.hkl |
CCDC reference: 221647
Computing details top
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); 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.
Bis(aquatrichloroacetatotriphenyltin).bis(1,10-phenanthroline) top
Crystal data top
[Sn(C2Cl3O2)(C6H5)3(H2O)]2·2C12H8N2 | Z = 1 |
Mr = 1421.16 | F(000) = 712 |
Triclinic, P1 | Dx = 1.578 Mg m−3 |
a = 9.1542 (6) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.2739 (7) Å | Cell parameters from 7435 reflections |
c = 14.4308 (9) Å | θ = 1.9–26.4° |
α = 67.559 (1)° | µ = 1.16 mm−1 |
β = 86.347 (1)° | T = 168 K |
γ = 89.490 (1)° | Irregular fragment, colorless |
V = 1495.4 (2) Å3 | 0.76 × 0.62 × 0.31 mm |
Data collection top
Siemens P4 diffractometer/CCD SMART area-detector | 5840 independent reflections |
Radiation source: medium-focus sealed tube | 5252 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
φ and ω scans | θmax = 26.4°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.561, Tmax = 0.698 | k = −15→15 |
18009 measured reflections | l = −11→18 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.023 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.062 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0412P)2] where P = (Fo2 + 2Fc2)/3 |
5840 reflections | (Δ/σ)max = 0.001 |
378 parameters | Δρmax = 1.12 e Å−3 |
1 restraint | Δρmin = −0.75 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.31978 (1) | 0.79597 (1) | 0.31625 (1) | 0.02265 (6) | |
Cl1 | 0.07533 (8) | 1.10316 (7) | 0.02991 (5) | 0.05536 (19) | |
Cl2 | 0.36376 (8) | 1.18484 (8) | 0.03935 (6) | 0.0673 (2) | |
Cl3 | 0.1120 (1) | 1.27476 (7) | 0.11458 (7) | 0.0822 (3) | |
O1w | 0.4334 (2) | 0.6297 (1) | 0.4204 (1) | 0.0264 (3) | |
O1 | 0.2108 (2) | 0.9469 (1) | 0.2062 (1) | 0.0303 (3) | |
O2 | 0.2237 (2) | 1.0789 (2) | 0.2775 (1) | 0.0434 (4) | |
N1 | 0.7026 (2) | 0.5877 (2) | 0.3444 (1) | 0.0278 (4) | |
N2 | 0.5338 (2) | 0.3877 (2) | 0.3861 (1) | 0.0281 (4) | |
C1 | 0.3071 (2) | 0.7102 (2) | 0.2139 (2) | 0.0241 (4) | |
C2 | 0.3083 (2) | 0.5875 (2) | 0.2472 (2) | 0.0295 (5) | |
C3 | 0.3055 (3) | 0.5317 (2) | 0.1805 (2) | 0.0354 (5) | |
C4 | 0.3014 (3) | 0.5981 (2) | 0.0785 (2) | 0.0368 (5) | |
C5 | 0.2985 (2) | 0.7200 (2) | 0.0441 (2) | 0.0348 (5) | |
C6 | 0.3012 (2) | 0.7758 (2) | 0.1107 (2) | 0.0282 (5) | |
C7 | 0.1631 (2) | 0.7643 (2) | 0.4393 (2) | 0.0247 (4) | |
C8 | 0.1010 (2) | 0.6523 (2) | 0.4899 (2) | 0.0312 (5) | |
C9 | 0.0017 (2) | 0.6288 (2) | 0.5715 (2) | 0.0373 (5) | |
C10 | −0.0367 (3) | 0.7174 (2) | 0.6049 (2) | 0.0405 (6) | |
C11 | 0.0242 (3) | 0.8286 (2) | 0.5562 (2) | 0.0458 (6) | |
C12 | 0.1225 (3) | 0.8528 (2) | 0.4735 (2) | 0.0386 (6) | |
C13 | 0.5140 (2) | 0.8980 (2) | 0.2992 (2) | 0.0282 (5) | |
C14 | 0.5608 (3) | 0.9284 (2) | 0.3756 (2) | 0.0344 (5) | |
C15 | 0.6948 (3) | 0.9852 (2) | 0.3653 (2) | 0.0508 (7) | |
C16 | 0.7827 (3) | 1.0136 (2) | 0.2782 (3) | 0.0568 (8) | |
C17 | 0.7370 (3) | 0.9866 (2) | 0.2012 (2) | 0.0529 (8) | |
C18 | 0.6034 (3) | 0.9292 (2) | 0.2108 (2) | 0.0403 (6) | |
C19 | 0.2085 (2) | 1.0499 (2) | 0.2081 (2) | 0.0272 (5) | |
C20 | 0.1896 (2) | 1.1492 (2) | 0.1023 (2) | 0.0322 (5) | |
C21 | 0.7296 (2) | 0.5205 (2) | 0.2894 (2) | 0.0267 (4) | |
C22 | 0.7911 (2) | 0.6790 (2) | 0.3277 (2) | 0.0322 (5) | |
C23 | 0.9099 (2) | 0.7118 (2) | 0.2553 (2) | 0.0389 (6) | |
C24 | 0.9345 (2) | 0.6466 (2) | 0.1979 (2) | 0.0390 (6) | |
C25 | 0.8438 (2) | 0.5493 (2) | 0.2131 (2) | 0.0331 (5) | |
C26 | 0.8637 (3) | 0.4770 (2) | 0.1557 (2) | 0.0433 (6) | |
C27 | 0.7743 (3) | 0.3850 (3) | 0.1711 (2) | 0.0449 (6) | |
C28 | 0.6562 (3) | 0.3536 (2) | 0.2466 (2) | 0.0362 (5) | |
C29 | 0.5561 (3) | 0.2610 (2) | 0.2625 (2) | 0.0461 (7) | |
C30 | 0.4475 (3) | 0.2348 (2) | 0.3373 (2) | 0.0459 (6) | |
C31 | 0.4422 (3) | 0.2999 (2) | 0.3980 (2) | 0.0364 (5) | |
C32 | 0.6370 (2) | 0.4187 (2) | 0.3087 (2) | 0.0279 (5) | |
H1w1 | 0.514 (2) | 0.604 (2) | 0.398 (2) | 0.040 (7)* | |
H1w2 | 0.436 (3) | 0.614 (2) | 0.485 (1) | 0.034 (7)* | |
H2 | 0.3110 | 0.5417 | 0.3170 | 0.035* | |
H3 | 0.3065 | 0.4480 | 0.2043 | 0.042* | |
H4 | 0.3005 | 0.5601 | 0.0322 | 0.044* | |
H5 | 0.2946 | 0.7654 | −0.0257 | 0.042* | |
H6 | 0.2991 | 0.8594 | 0.0864 | 0.034* | |
H8 | 0.1277 | 0.5907 | 0.4678 | 0.037* | |
H9 | −0.0402 | 0.5520 | 0.6045 | 0.045* | |
H10 | −0.1047 | 0.7017 | 0.6612 | 0.049* | |
H11 | −0.0016 | 0.8893 | 0.5795 | 0.055* | |
H12 | 0.1624 | 0.9302 | 0.4400 | 0.046* | |
H14 | 0.5005 | 0.9101 | 0.4358 | 0.041* | |
H15 | 0.7259 | 1.0046 | 0.4187 | 0.061* | |
H16 | 0.8748 | 1.0517 | 0.2717 | 0.068* | |
H17 | 0.7969 | 1.0073 | 0.1406 | 0.063* | |
H18 | 0.5728 | 0.9110 | 0.1566 | 0.048* | |
H22 | 0.7731 | 0.7252 | 0.3670 | 0.039* | |
H23 | 0.9712 | 0.7775 | 0.2467 | 0.047* | |
H24 | 1.0131 | 0.6671 | 0.1477 | 0.047* | |
H26 | 0.9420 | 0.4946 | 0.1055 | 0.052* | |
H27 | 0.7898 | 0.3396 | 0.1309 | 0.054* | |
H29 | 0.5641 | 0.2166 | 0.2211 | 0.055* | |
H30 | 0.3776 | 0.1739 | 0.3476 | 0.055* | |
H31 | 0.3682 | 0.2800 | 0.4513 | 0.044* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.02286 (8) | 0.02318 (8) | 0.02361 (8) | 0.0011 (1) | −0.0011 (1) | −0.01092 (6) |
Cl1 | 0.0556 (4) | 0.0582 (4) | 0.0397 (3) | −0.0099 (3) | −0.0188 (3) | −0.0021 (3) |
Cl2 | 0.0386 (4) | 0.0844 (6) | 0.0547 (4) | −0.0140 (4) | 0.0111 (3) | −0.0013 (4) |
Cl3 | 0.1327 (9) | 0.0408 (4) | 0.0704 (5) | 0.0414 (5) | −0.0111 (5) | −0.0184 (4) |
O1w | 0.025 (1) | 0.030 (1) | 0.025 (1) | 0.006 (1) | −0.003 (1) | −0.011 (1) |
O1 | 0.034 (1) | 0.025 (1) | 0.033 (1) | 0.005 (1) | −0.009 (1) | −0.011 (1) |
O2 | 0.064 (1) | 0.035 (1) | 0.035 (1) | −0.006 (1) | −0.006 (1) | −0.017 (1) |
N1 | 0.027 (1) | 0.029 (1) | 0.029 (1) | 0.004 (1) | −0.004 (1) | −0.013 (1) |
N2 | 0.029 (1) | 0.028 (1) | 0.028 (1) | 0.006 (1) | −0.007 (1) | −0.012 (1) |
C1 | 0.021 (1) | 0.029 (1) | 0.026 (1) | 0.002 (1) | −0.001 (1) | −0.014 (1) |
C2 | 0.033 (1) | 0.029 (1) | 0.027 (1) | 0.006 (1) | −0.007 (1) | −0.011 (1) |
C3 | 0.043 (1) | 0.029 (1) | 0.040 (1) | 0.008 (1) | −0.011 (1) | −0.018 (1) |
C4 | 0.044 (1) | 0.042 (1) | 0.035 (1) | 0.007 (1) | −0.007 (1) | −0.025 (1) |
C5 | 0.038 (1) | 0.043 (1) | 0.024 (1) | 0.000 (1) | −0.001 (1) | −0.013 (1) |
C6 | 0.031 (1) | 0.027 (1) | 0.027 (1) | −0.002 (1) | 0.001 (1) | −0.011 (1) |
C7 | 0.023 (1) | 0.028 (1) | 0.024 (1) | 0.004 (1) | −0.003 (1) | −0.011 (1) |
C8 | 0.034 (1) | 0.032 (1) | 0.032 (1) | 0.000 (1) | −0.003 (1) | −0.016 (1) |
C9 | 0.032 (1) | 0.041 (1) | 0.032 (1) | −0.007 (1) | 0.001 (1) | −0.006 (1) |
C10 | 0.033 (1) | 0.056 (2) | 0.029 (1) | 0.005 (1) | 0.004 (1) | −0.013 (1) |
C11 | 0.051 (2) | 0.045 (2) | 0.045 (1) | 0.008 (1) | 0.011 (1) | −0.023 (1) |
C12 | 0.046 (1) | 0.031 (1) | 0.039 (1) | 0.003 (1) | 0.008 (1) | −0.014 (1) |
C13 | 0.027 (1) | 0.021 (1) | 0.033 (1) | 0.003 (1) | −0.003 (1) | −0.007 (1) |
C14 | 0.035 (1) | 0.029 (1) | 0.040 (1) | −0.001 (1) | −0.005 (1) | −0.013 (1) |
C15 | 0.046 (2) | 0.042 (2) | 0.069 (2) | −0.005 (1) | −0.019 (1) | −0.024 (1) |
C16 | 0.030 (1) | 0.040 (2) | 0.091 (2) | −0.010 (1) | −0.001 (1) | −0.015 (2) |
C17 | 0.033 (1) | 0.046 (2) | 0.064 (2) | −0.003 (1) | 0.013 (1) | −0.005 (1) |
C18 | 0.035 (1) | 0.042 (1) | 0.039 (1) | −0.001 (1) | 0.002 (1) | −0.010 (1) |
C19 | 0.024 (1) | 0.026 (1) | 0.031 (1) | 0.000 (1) | −0.002 (1) | −0.010 (1) |
C20 | 0.033 (1) | 0.027 (1) | 0.034 (1) | 0.001 (1) | 0.000 (1) | −0.009 (1) |
C21 | 0.027 (1) | 0.031 (1) | 0.023 (1) | 0.010 (1) | −0.006 (1) | −0.010 (1) |
C22 | 0.028 (1) | 0.033 (1) | 0.038 (1) | 0.004 (1) | −0.004 (1) | −0.016 (1) |
C23 | 0.027 (1) | 0.035 (1) | 0.048 (1) | 0.001 (1) | −0.003 (1) | −0.008 (1) |
C24 | 0.029 (1) | 0.045 (1) | 0.033 (1) | 0.008 (1) | 0.003 (1) | −0.004 (1) |
C25 | 0.032 (1) | 0.040 (1) | 0.024 (1) | 0.012 (1) | −0.005 (1) | −0.008 (1) |
C26 | 0.049 (2) | 0.056 (2) | 0.024 (1) | 0.019 (1) | 0.000 (1) | −0.016 (1) |
C27 | 0.058 (2) | 0.057 (2) | 0.030 (1) | 0.020 (1) | −0.010 (1) | −0.028 (1) |
C28 | 0.046 (1) | 0.038 (1) | 0.031 (1) | 0.015 (1) | −0.015 (1) | −0.020 (1) |
C29 | 0.065 (2) | 0.040 (1) | 0.047 (2) | 0.015 (1) | −0.024 (1) | −0.029 (1) |
C30 | 0.052 (2) | 0.034 (1) | 0.058 (2) | 0.003 (1) | −0.023 (1) | −0.022 (1) |
C31 | 0.038 (1) | 0.029 (1) | 0.043 (1) | 0.002 (1) | −0.011 (1) | −0.013 (1) |
C32 | 0.032 (1) | 0.030 (1) | 0.025 (1) | 0.011 (1) | −0.010 (1) | −0.012 (1) |
Geometric parameters (Å, º) top
Sn1—C1 | 2.125 (2) | C22—C23 | 1.406 (3) |
Sn1—C7 | 2.126 (2) | C23—C24 | 1.364 (4) |
Sn1—C13 | 2.130 (2) | C24—C25 | 1.400 (3) |
Sn1—O1 | 2.208 (1) | C25—C26 | 1.430 (3) |
Sn1—O1w | 2.308 (1) | C26—C27 | 1.340 (4) |
Cl1—C20 | 1.763 (2) | C27—C28 | 1.429 (4) |
Cl2—C20 | 1.755 (2) | C28—C29 | 1.406 (4) |
Cl3—C20 | 1.756 (2) | C28—C32 | 1.413 (3) |
O1—C19 | 1.274 (3) | C29—C30 | 1.363 (4) |
O2—C19 | 1.201 (3) | C30—C31 | 1.391 (4) |
N1—C22 | 1.324 (3) | O1w—H1w1 | 0.89 (2) |
N1—C21 | 1.358 (3) | O1w—H1w2 | 0.88 (2) |
N2—C31 | 1.323 (3) | C2—H2 | 0.95 |
N2—C32 | 1.354 (3) | C3—H3 | 0.95 |
C1—C2 | 1.395 (3) | C4—H4 | 0.95 |
C1—C6 | 1.401 (3) | C5—H5 | 0.95 |
C2—C3 | 1.381 (3) | C6—H6 | 0.95 |
C3—C4 | 1.387 (3) | C8—H8 | 0.95 |
C4—C5 | 1.386 (3) | C9—H9 | 0.95 |
C5—C6 | 1.377 (3) | C10—H10 | 0.95 |
C7—C12 | 1.393 (3) | C11—H11 | 0.95 |
C7—C8 | 1.394 (3) | C12—H12 | 0.95 |
C8—C9 | 1.380 (3) | C14—H14 | 0.95 |
C9—C10 | 1.383 (4) | C15—H15 | 0.95 |
C10—C11 | 1.378 (4) | C16—H16 | 0.95 |
C11—C12 | 1.385 (3) | C17—H17 | 0.95 |
C13—C14 | 1.383 (3) | C18—H18 | 0.95 |
C13—C18 | 1.394 (3) | C22—H22 | 0.95 |
C14—C15 | 1.387 (3) | C23—H23 | 0.95 |
C15—C16 | 1.375 (4) | C24—H24 | 0.95 |
C16—C17 | 1.365 (4) | C26—H26 | 0.95 |
C17—C18 | 1.389 (4) | C27—H27 | 0.95 |
C19—C20 | 1.567 (3) | C29—H29 | 0.95 |
C21—C25 | 1.412 (3) | C30—H30 | 0.95 |
C21—C32 | 1.442 (3) | C31—H31 | 0.95 |
C1—Sn1—C7 | 122.2 (1) | C29—C28—C27 | 123.4 (2) |
C1—Sn1—C13 | 115.5 (1) | C32—C28—C27 | 119.0 (2) |
C1—Sn1—O1 | 87.3 (1) | C30—C29—C28 | 120.2 (2) |
C1—Sn1—O1w | 87.2 (1) | C29—C30—C31 | 118.1 (2) |
C7—Sn1—C13 | 121.8 (1) | N2—C31—C30 | 124.0 (2) |
C7—Sn1—O1 | 97.4 (1) | N2—C32—C28 | 121.5 (2) |
C7—Sn1—O1w | 85.7 (1) | N2—C32—C21 | 119.2 (2) |
C13—Sn1—O1 | 91.7 (1) | C28—C32—C21 | 119.3 (2) |
C13—Sn1—O1w | 90.4 (1) | Sn1—O1w—H1w1 | 120 (2) |
O1—Sn1—O1w | 174.5 (1) | Sn1—O1w—H1w2 | 121 (2) |
C19—O1—Sn1 | 123.7 (1) | H1w1—O1w—H1w2 | 110 (2) |
C22—N1—C21 | 118.0 (2) | C3—C2—H2 | 119.5 |
C31—N2—C32 | 118.4 (2) | C1—C2—H2 | 119.5 |
C2—C1—C6 | 118.4 (2) | C2—C3—H3 | 120.1 |
C2—C1—Sn1 | 121.0 (2) | C4—C3—H3 | 120.1 |
C6—C1—Sn1 | 120.7 (2) | C3—C4—H4 | 120.0 |
C3—C2—C1 | 121.1 (2) | C5—C4—H4 | 120.0 |
C2—C3—C4 | 119.7 (2) | C6—C5—H5 | 119.8 |
C3—C4—C5 | 119.9 (2) | C4—C5—H5 | 119.8 |
C6—C5—C4 | 120.3 (2) | C5—C6—H6 | 119.7 |
C5—C6—C1 | 120.5 (2) | C1—C6—H6 | 119.7 |
C12—C7—C8 | 118.1 (2) | C9—C8—H8 | 119.3 |
C12—C7—Sn1 | 121.6 (2) | C7—C8—H8 | 119.3 |
C8—C7—Sn1 | 120.3 (2) | C10—C9—H9 | 120.1 |
C9—C8—C7 | 121.4 (2) | C8—C9—H9 | 120.1 |
C10—C9—C8 | 119.8 (2) | C11—C10—H10 | 120.2 |
C11—C10—C9 | 119.6 (2) | C9—C10—H10 | 120.2 |
C10—C11—C12 | 120.7 (2) | C10—C11—H11 | 119.6 |
C11—C12—C7 | 120.3 (2) | C12—C11—H11 | 119.6 |
C14—C13—C18 | 118.0 (2) | C11—C12—H12 | 119.8 |
C14—C13—Sn1 | 122.4 (2) | C7—C12—H12 | 119.8 |
C18—C13—Sn1 | 119.5 (2) | C13—C14—H14 | 119.6 |
C13—C14—C15 | 120.8 (2) | C15—C14—H14 | 119.6 |
C16—C15—C14 | 120.4 (3) | C16—C15—H15 | 119.8 |
C17—C16—C15 | 119.6 (2) | C14—C15—H15 | 119.8 |
C16—C17—C18 | 120.5 (3) | C17—C16—H16 | 120.2 |
C13—C18—C17 | 120.6 (3) | C15—C16—H16 | 120.2 |
O2—C19—O1 | 128.9 (2) | C16—C17—H17 | 119.8 |
O2—C19—C20 | 118.0 (2) | C18—C17—H17 | 119.8 |
O1—C19—C20 | 113.0 (2) | C13—C18—H18 | 119.7 |
C19—C20—Cl3 | 110.7 (2) | C17—C18—H18 | 119.7 |
C19—C20—Cl2 | 107.8 (2) | N1—C22—H22 | 117.9 |
Cl3—C20—Cl2 | 109.9 (1) | C23—C22—H22 | 117.9 |
C19—C20—Cl1 | 111.9 (2) | C24—C23—H23 | 121.0 |
Cl3—C20—Cl1 | 107.7 (1) | C22—C23—H23 | 121.0 |
Cl2—C20—Cl1 | 108.9 (1) | C23—C24—H24 | 120.1 |
N1—C21—C25 | 121.6 (2) | C25—C24—H24 | 120.1 |
N1—C21—C32 | 118.8 (2) | C27—C26—H26 | 119.3 |
C25—C21—C32 | 119.6 (2) | C25—C26—H26 | 119.3 |
N1—C22—C23 | 124.1 (2) | C26—C27—H27 | 119.2 |
C24—C23—C22 | 118.0 (2) | C28—C27—H27 | 119.2 |
C23—C24—C25 | 119.8 (2) | C30—C29—H29 | 119.9 |
C24—C25—C21 | 118.4 (2) | C28—C29—H29 | 119.9 |
C24—C25—C26 | 122.7 (2) | C29—C30—H30 | 121.0 |
C21—C25—C26 | 118.9 (2) | C31—C30—H30 | 121.0 |
C27—C26—C25 | 121.5 (2) | N2—C31—H31 | 118.0 |
C26—C27—C28 | 121.5 (2) | C30—C31—H31 | 118.0 |
C29—C28—C32 | 117.6 (2) | ||
C1—Sn1—O1—C19 | −163.8 (2) | C13—C14—C15—C16 | 0.8 (4) |
C7—Sn1—O1—C19 | 74.0 (2) | C14—C15—C16—C17 | 0.7 (4) |
C13—Sn1—O1—C19 | −48.4 (2) | C15—C16—C17—C18 | −1.0 (4) |
O1w—Sn1—O1—C19 | −161.0 (5) | C14—C13—C18—C17 | 1.5 (3) |
C7—Sn1—C1—C2 | −58.6 (2) | Sn1—C13—C18—C17 | −174.3 (2) |
C13—Sn1—C1—C2 | 113.7 (2) | C16—C17—C18—C13 | −0.1 (4) |
O1—Sn1—C1—C2 | −155.7 (2) | Sn1—O1—C19—O2 | −22.7 (3) |
O1w—Sn1—C1—C2 | 24.6 (2) | Sn1—O1—C19—C20 | 154.4 (1) |
C7—Sn1—C1—C6 | 123.1 (2) | O2—C19—C20—Cl3 | −27.3 (3) |
C13—Sn1—C1—C6 | −64.7 (2) | O1—C19—C20—Cl3 | 155.3 (2) |
O1—Sn1—C1—C6 | 26.0 (2) | O2—C19—C20—Cl2 | 92.8 (2) |
O1w—Sn1—C1—C6 | −153.8 (2) | O1—C19—C20—Cl2 | −84.6 (2) |
C6—C1—C2—C3 | 0.8 (3) | O2—C19—C20—Cl1 | −147.5 (2) |
Sn1—C1—C2—C3 | −177.6 (2) | O1—C19—C20—Cl1 | 35.1 (2) |
C1—C2—C3—C4 | −0.1 (3) | C22—N1—C21—C25 | −3.0 (3) |
C2—C3—C4—C5 | −0.7 (4) | C22—N1—C21—C32 | 178.2 (2) |
C3—C4—C5—C6 | 0.7 (4) | C21—N1—C22—C23 | 1.0 (3) |
C4—C5—C6—C1 | 0.1 (3) | N1—C22—C23—C24 | 0.9 (3) |
C2—C1—C6—C5 | −0.8 (3) | C22—C23—C24—C25 | −0.9 (3) |
Sn1—C1—C6—C5 | 177.6 (2) | C23—C24—C25—C21 | −0.9 (3) |
C1—Sn1—C7—C12 | −146.6 (2) | C23—C24—C25—C26 | −179.9 (2) |
C13—Sn1—C7—C12 | 41.6 (2) | N1—C21—C25—C24 | 2.9 (3) |
O1—Sn1—C7—C12 | −55.1 (2) | C32—C21—C25—C24 | −178.2 (2) |
O1w—Sn1—C7—C12 | 129.5 (2) | N1—C21—C25—C26 | −178.1 (2) |
C1—Sn1—C7—C8 | 35.3 (2) | C32—C21—C25—C26 | 0.8 (3) |
C13—Sn1—C7—C8 | −136.5 (2) | C24—C25—C26—C27 | −179.3 (2) |
O1—Sn1—C7—C8 | 126.8 (2) | C21—C25—C26—C27 | 1.7 (3) |
O1w—Sn1—C7—C8 | −48.7 (2) | C25—C26—C27—C28 | −0.9 (4) |
C12—C7—C8—C9 | 0.2 (3) | C26—C27—C28—C29 | 177.2 (2) |
Sn1—C7—C8—C9 | 178.5 (2) | C26—C27—C28—C32 | −2.4 (4) |
C7—C8—C9—C10 | −0.7 (4) | C32—C28—C29—C30 | −1.6 (3) |
C8—C9—C10—C11 | 0.3 (4) | C27—C28—C29—C30 | 178.8 (2) |
C9—C10—C11—C12 | 0.5 (4) | C28—C29—C30—C31 | −1.8 (4) |
C10—C11—C12—C7 | −1.0 (4) | C32—N2—C31—C30 | 1.8 (3) |
C8—C7—C12—C11 | 0.6 (4) | C29—C30—C31—N2 | 1.8 (4) |
Sn1—C7—C12—C11 | −177.6 (2) | C31—N2—C32—C28 | −5.4 (3) |
C1—Sn1—C13—C14 | −159.5 (2) | C31—N2—C32—C21 | 174.7 (2) |
C7—Sn1—C13—C14 | 12.9 (2) | C29—C28—C32—N2 | 5.3 (3) |
O1—Sn1—C13—C14 | 112.7 (2) | C27—C28—C32—N2 | −175.1 (2) |
O1w—Sn1—C13—C14 | −72.4 (2) | C29—C28—C32—C21 | −174.8 (2) |
C1—Sn1—C13—C18 | 16.1 (2) | C27—C28—C32—C21 | 4.8 (3) |
C7—Sn1—C13—C18 | −171.6 (2) | N1—C21—C32—N2 | −5.2 (3) |
O1—Sn1—C13—C18 | −71.8 (2) | C25—C21—C32—N2 | 175.9 (2) |
O1w—Sn1—C13—C18 | 103.2 (2) | N1—C21—C32—C28 | 174.9 (2) |
C18—C13—C14—C15 | −1.8 (3) | C25—C21—C32—C28 | −4.0 (3) |
Sn1—C13—C14—C15 | 173.8 (2) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1w—H1w1···N1 | 0.89 (2) | 1.89 (2) | 2.758 (2) | 166 (2) |
O1w—H1w2···N2i | 0.88 (2) | 1.89 (2) | 2.755 (2) | 167 (2) |
Symmetry code: (i) −x+1, −y+1, −z+1. |