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metal-organic compounds
In the title complex, [Sn2BrCl(C7H7)2(C6H4Cl)4(C26H24O2P2)], the 1,2-bis(diphenylphosphoryl)ethane ligand coordinates to a bromobis(p-chlorophenyl)(p-tolyl)tin molecule and also to a chlorobis(p-chlorophenyl)(p-tolyl)tin molecule across a center of inversion, involving disorder of Cl and Br. The Sn atoms are five-coordinate in a trans-C3SnOX geometry.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804010219/su6097sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804010219/su6097Isup2.hkl |
CCDC reference: 242020
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.009 Å
- R factor = 0.054
- wR factor = 0.114
- Data-to-parameter ratio = 18.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 30 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.88 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.11 Ratio PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C4 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C10 PLAT301_ALERT_3_C Main Residue Disorder ......................... 7.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 6
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: CAD-4-PC (Kretschmar, 1994); cell refinement: CAD-4 VAX/PC Fortran System (Enraf-Nonius, 1988); data reduction: XCAD4 (Harms, 1997) in WinGX (Farrugia, 1999); 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(p-chlorophenyl)(p-tolyl)chlorotin]-µ-1,2-bis(diphenylphosphoryl)ethane-
κ2O:O'-[bis(p-chlorophenyl)(p-tolyl)bromotin] top
Crystal data top
[Sn2BrCl(C6H5)4(C7H7)2(C6H5Cl)4(C2H4O2P2)] | F(000) = 1408 |
Mr = 1411.55 | Dx = 1.555 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 25 reflections |
a = 12.324 (3) Å | θ = 10.0–13.4° |
b = 12.842 (3) Å | µ = 1.81 mm−1 |
c = 19.975 (4) Å | T = 298 K |
β = 107.54 (3)° | Block, colorless |
V = 3014.4 (13) Å3 | 0.15 × 0.15 × 0.10 mm |
Z = 2 |
Data collection top
Enraf-Nonius CAD-4 diffractometer | 3325 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.033 |
Graphite monochromator | θmax = 25.0°, θmin = 1.7° |
ω–2θ scans | h = −14→0 |
Absorption correction: empirical (using intensity measurements) via ψ scan (North et al., 1968) | k = 0→15 |
Tmin = 0.744, Tmax = 0.835 | l = −22→23 |
5574 measured reflections | 3 standard reflections every 60 min |
5308 independent reflections | intensity decay: 3% |
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)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.114 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0381P)2 + 3.4106P] where P = (Fo2 + 2Fc2)/3 |
5308 reflections | (Δ/σ)max = 0.001 |
294 parameters | Δρmax = 0.48 e Å−3 |
23 restraints | Δρmin = −0.60 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Sn1 | 0.22090 (4) | 0.25733 (4) | 0.51298 (2) | 0.0371 (2) | |
Br1 | 0.0089 (4) | 0.1947 (9) | 0.4704 (4) | 0.0454 (9) | 0.50 |
Cl1' | 0.021 (1) | 0.203 (2) | 0.483 (1) | 0.0454 (9) | 0.50 |
Cl1 | 0.4104 (2) | −0.1993 (2) | 0.6541 (2) | 0.0960 (8) | |
Cl2 | 0.1719 (3) | 0.6416 (3) | 0.7230 (2) | 0.092 (1) | 0.67 |
Cl3 | 0.2129 (7) | 0.4065 (5) | 0.1948 (2) | 0.067 (1) | 0.33 |
C2' | 0.1712 (6) | 0.6303 (8) | 0.7168 (6) | 0.092 (1) | 0.33 |
C3' | 0.2087 (10) | 0.4047 (7) | 0.2036 (3) | 0.067 (1) | 0.67 |
P1 | 0.50083 (14) | 0.38812 (13) | 0.58322 (9) | 0.0310 (4) | |
O1 | 0.4128 (3) | 0.3131 (3) | 0.5446 (2) | 0.039 (1) | |
C1 | 0.2836 (4) | 0.1109 (3) | 0.5572 (2) | 0.042 (2) | |
C2 | 0.3959 (3) | 0.0822 (3) | 0.5663 (3) | 0.064 (2) | |
C3 | 0.4357 (3) | −0.0137 (4) | 0.5959 (3) | 0.071 (3) | |
C4 | 0.3631 (4) | −0.0809 (3) | 0.6164 (3) | 0.053 (2) | |
C5 | 0.2509 (4) | −0.0521 (3) | 0.6073 (3) | 0.051 (2) | |
C6 | 0.2111 (3) | 0.0437 (3) | 0.5777 (2) | 0.045 (2) | |
C7 | 0.1929 (3) | 0.3793 (3) | 0.5778 (2) | 0.039 (2) | |
C8 | 0.1834 (4) | 0.4815 (3) | 0.5539 (2) | 0.056 (2) | |
C9 | 0.1764 (4) | 0.5624 (3) | 0.5987 (3) | 0.062 (2) | |
C10 | 0.1788 (3) | 0.5409 (4) | 0.6673 (3) | 0.058 (2) | |
C11 | 0.1882 (4) | 0.4387 (4) | 0.6912 (2) | 0.066 (2) | |
C12 | 0.1953 (4) | 0.3578 (3) | 0.6464 (2) | 0.057 (2) | |
C13 | 0.2209 (4) | 0.3017 (3) | 0.4111 (2) | 0.038 (2) | |
C14 | 0.1342 (3) | 0.3675 (3) | 0.3738 (2) | 0.045 (2) | |
C15 | 0.1301 (3) | 0.4007 (3) | 0.3069 (2) | 0.050 (2) | |
C16 | 0.2128 (4) | 0.3680 (3) | 0.2772 (2) | 0.050 (2) | |
C17 | 0.2996 (3) | 0.3021 (3) | 0.3144 (2) | 0.054 (2) | |
C18 | 0.3036 (3) | 0.2690 (3) | 0.3814 (2) | 0.048 (2) | |
C19 | 0.6386 (3) | 0.3366 (3) | 0.5915 (2) | 0.035 (2) | |
C20 | 0.6527 (3) | 0.2644 (4) | 0.5430 (2) | 0.053 (2) | |
C21 | 0.7612 (4) | 0.2303 (4) | 0.5461 (2) | 0.071 (3) | |
C22 | 0.8555 (3) | 0.2684 (4) | 0.5978 (3) | 0.071 (3) | |
C23 | 0.8413 (3) | 0.3406 (4) | 0.6463 (3) | 0.076 (3) | |
C24 | 0.7329 (4) | 0.3747 (3) | 0.6432 (2) | 0.055 (2) | |
C25 | 0.4941 (4) | 0.4219 (3) | 0.6687 (2) | 0.032 (2) | |
C26 | 0.4772 (4) | 0.5238 (3) | 0.6867 (2) | 0.048 (2) | |
C27 | 0.4762 (4) | 0.5469 (3) | 0.7545 (2) | 0.059 (2) | |
C28 | 0.4920 (4) | 0.4681 (4) | 0.8042 (2) | 0.054 (2) | |
C29 | 0.5088 (4) | 0.3662 (3) | 0.7862 (2) | 0.057 (2) | |
C30 | 0.5099 (4) | 0.3431 (3) | 0.7184 (2) | 0.049 (2) | |
C31 | 0.4937 (6) | 0.5092 (5) | 0.5364 (3) | 0.037 (2) | |
H2'1 | 0.1420 | 0.6041 | 0.7531 | 0.137* | 0.33 |
H2'2 | 0.1212 | 0.6833 | 0.6907 | 0.137* | 0.33 |
H2'3 | 0.2455 | 0.6592 | 0.7377 | 0.137* | 0.33 |
H3'1 | 0.2431 | 0.4723 | 0.2065 | 0.101* | 0.67 |
H3'2 | 0.1310 | 0.4084 | 0.1745 | 0.101* | 0.67 |
H3'3 | 0.2496 | 0.3563 | 0.1835 | 0.101* | 0.67 |
H2 | 0.4444 | 0.1271 | 0.5525 | 0.077* | |
H3 | 0.5108 | −0.0329 | 0.6020 | 0.085* | |
H5 | 0.2024 | −0.0971 | 0.6211 | 0.061* | |
H6 | 0.1360 | 0.0630 | 0.5717 | 0.053* | |
H8 | 0.1818 | 0.4959 | 0.5080 | 0.067* | |
H9 | 0.1701 | 0.6308 | 0.5827 | 0.075* | |
H11 | 0.1898 | 0.4243 | 0.7371 | 0.079* | |
H14 | 0.0788 | 0.3894 | 0.3937 | 0.054* | |
H12 | 0.2016 | 0.2894 | 0.6624 | 0.069* | |
H15 | 0.0721 | 0.4447 | 0.2820 | 0.060* | |
H17 | 0.3549 | 0.2803 | 0.2945 | 0.064* | |
H18 | 0.3617 | 0.2249 | 0.4063 | 0.058* | |
H20 | 0.5896 | 0.2389 | 0.5085 | 0.063* | |
H21 | 0.7707 | 0.1820 | 0.5136 | 0.086* | |
H22 | 0.9281 | 0.2456 | 0.5998 | 0.085* | |
H23 | 0.9044 | 0.3661 | 0.6808 | 0.092* | |
H24 | 0.7234 | 0.4230 | 0.6756 | 0.066* | |
H26 | 0.4667 | 0.5766 | 0.6535 | 0.057* | |
H27 | 0.4649 | 0.6151 | 0.7666 | 0.071* | |
H28 | 0.4913 | 0.4836 | 0.8496 | 0.065* | |
H30 | 0.5211 | 0.2749 | 0.7063 | 0.059* | |
H29 | 0.5194 | 0.3134 | 0.8194 | 0.069* | |
H31a | 0.4213 | 0.5428 | 0.5318 | 0.044* | |
H31b | 0.5537 | 0.5552 | 0.5629 | 0.044* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0372 (2) | 0.0364 (3) | 0.0379 (2) | 0.0014 (3) | 0.0117 (2) | −0.0013 (3) |
Br1 | 0.028 (1) | 0.062 (2) | 0.042 (3) | −0.005 (1) | 0.005 (1) | −0.006 (2) |
Cl1' | 0.028 (1) | 0.062 (2) | 0.042 (3) | −0.005 (1) | 0.005 (1) | −0.006 (2) |
Cl1 | 0.105 (2) | 0.060 (2) | 0.118 (2) | 0.020 (1) | 0.026 (2) | 0.022 (2) |
Cl2 | 0.069 (2) | 0.099 (3) | 0.101 (3) | 0.011 (2) | 0.015 (2) | −0.063 (2) |
Cl3 | 0.075 (3) | 0.091 (3) | 0.037 (2) | −0.002 (3) | 0.017 (2) | 0.014 (2) |
C2' | 0.069 (2) | 0.099 (3) | 0.101 (3) | 0.0114 (18) | 0.0150 (18) | −0.063 (2) |
C3' | 0.075 (3) | 0.091 (3) | 0.037 (2) | −0.002 (3) | 0.017 (2) | 0.014 (2) |
P1 | 0.0324 (9) | 0.0296 (9) | 0.0306 (9) | −0.0017 (8) | 0.0090 (7) | 0.0059 (8) |
O1 | 0.032 (2) | 0.036 (3) | 0.045 (3) | −0.008 (2) | 0.006 (2) | −0.002 (2) |
C1 | 0.042 (4) | 0.038 (4) | 0.045 (4) | −0.003 (3) | 0.014 (3) | −0.002 (3) |
C2 | 0.035 (4) | 0.043 (5) | 0.113 (7) | 0.003 (4) | 0.023 (5) | 0.020 (5) |
C3 | 0.042 (5) | 0.041 (5) | 0.129 (8) | 0.000 (4) | 0.025 (5) | 0.007 (5) |
C4 | 0.061 (5) | 0.031 (4) | 0.058 (5) | 0.008 (4) | 0.004 (4) | −0.005 (4) |
C5 | 0.038 (4) | 0.052 (5) | 0.062 (5) | −0.004 (4) | 0.013 (4) | 0.008 (4) |
C6 | 0.036 (4) | 0.043 (4) | 0.057 (5) | 0.006 (4) | 0.017 (4) | 0.010 (4) |
C7 | 0.037 (4) | 0.045 (4) | 0.035 (4) | 0.004 (3) | 0.010 (3) | −0.001 (3) |
C8 | 0.071 (6) | 0.045 (5) | 0.047 (5) | 0.018 (4) | 0.012 (4) | 0.004 (4) |
C9 | 0.066 (6) | 0.038 (5) | 0.070 (6) | 0.013 (4) | 0.000 (5) | −0.010 (4) |
C10 | 0.040 (4) | 0.070 (6) | 0.060 (6) | 0.013 (4) | 0.010 (4) | −0.027 (5) |
C11 | 0.069 (6) | 0.087 (7) | 0.044 (5) | −0.005 (5) | 0.022 (4) | −0.015 (5) |
C12 | 0.064 (5) | 0.058 (5) | 0.048 (5) | −0.002 (4) | 0.014 (4) | 0.005 (4) |
C13 | 0.038 (4) | 0.038 (4) | 0.035 (4) | −0.005 (3) | 0.007 (3) | −0.005 (3) |
C14 | 0.047 (4) | 0.040 (4) | 0.051 (5) | −0.001 (4) | 0.018 (4) | 0.002 (4) |
C15 | 0.041 (4) | 0.048 (5) | 0.054 (5) | −0.003 (4) | 0.005 (4) | 0.002 (4) |
C16 | 0.058 (5) | 0.046 (5) | 0.041 (4) | −0.015 (4) | 0.009 (4) | −0.003 (4) |
C17 | 0.040 (4) | 0.075 (6) | 0.046 (5) | 0.007 (4) | 0.014 (4) | −0.004 (4) |
C18 | 0.038 (4) | 0.057 (5) | 0.048 (4) | 0.015 (4) | 0.010 (3) | 0.004 (4) |
C19 | 0.034 (4) | 0.031 (4) | 0.040 (4) | 0.000 (3) | 0.010 (3) | 0.005 (3) |
C20 | 0.051 (4) | 0.063 (5) | 0.046 (4) | 0.008 (4) | 0.019 (3) | −0.009 (4) |
C21 | 0.066 (5) | 0.105 (8) | 0.049 (5) | 0.024 (5) | 0.026 (4) | −0.015 (5) |
C22 | 0.048 (5) | 0.096 (7) | 0.072 (6) | 0.015 (5) | 0.023 (4) | 0.005 (6) |
C23 | 0.050 (5) | 0.085 (7) | 0.089 (7) | −0.010 (5) | 0.014 (5) | −0.015 (6) |
C24 | 0.040 (4) | 0.061 (5) | 0.062 (5) | −0.004 (4) | 0.013 (4) | −0.014 (4) |
C25 | 0.030 (4) | 0.036 (4) | 0.029 (4) | 0.003 (3) | 0.009 (3) | 0.002 (3) |
C26 | 0.065 (5) | 0.043 (5) | 0.039 (4) | 0.006 (4) | 0.022 (4) | 0.010 (4) |
C27 | 0.078 (6) | 0.049 (5) | 0.056 (5) | 0.002 (4) | 0.030 (5) | −0.003 (4) |
C28 | 0.052 (5) | 0.076 (6) | 0.036 (4) | −0.003 (4) | 0.014 (4) | 0.004 (4) |
C29 | 0.074 (6) | 0.060 (5) | 0.041 (4) | 0.003 (4) | 0.021 (4) | 0.018 (4) |
C30 | 0.071 (5) | 0.042 (4) | 0.037 (4) | 0.016 (4) | 0.018 (4) | 0.014 (3) |
C31 | 0.045 (4) | 0.031 (4) | 0.036 (4) | 0.000 (3) | 0.015 (3) | 0.007 (3) |
Geometric parameters (Å, º) top
Sn1—C1 | 2.122 (3) | C11—C12 | 1.39 |
Sn1—C7 | 2.125 (3) | C11—H11 | 0.93 |
Sn1—C13 | 2.114 (3) | C12—H12 | 0.93 |
Sn1—O1 | 2.367 (4) | C13—C14 | 1.39 |
Sn1—Cl1' | 2.449 (9) | C13—C18 | 1.39 |
Sn1—Br1 | 2.618 (4) | C14—C15 | 1.39 |
Cl1—C4 | 1.718 (3) | C14—H14 | 0.93 |
Cl2—C10 | 1.725 (4) | C15—C16 | 1.39 |
Cl3—C16 | 1.718 (4) | C15—H15 | 0.93 |
C2'—C10 | 1.536 (5) | C16—C17 | 1.39 |
C2'—H2'1 | 0.96 | C17—C18 | 1.39 |
C2'—H2'2 | 0.96 | C17—H17 | 0.93 |
C2'—H2'3 | 0.96 | C18—H18 | 0.93 |
C3'—C16 | 1.530 (4) | C19—C20 | 1.39 |
C3'—H3'1 | 0.96 | C19—C24 | 1.39 |
C3'—H3'2 | 0.96 | C20—C21 | 1.39 |
C3'—H3'3 | 0.96 | C20—H20 | 0.93 |
P1—O1 | 1.482 (4) | C21—C22 | 1.39 |
P1—C19 | 1.783 (4) | C21—H21 | 0.93 |
P1—C25 | 1.787 (4) | C22—C23 | 1.39 |
P1—C31 | 1.803 (6) | C22—H22 | 0.93 |
C1—C2 | 1.39 | C23—C24 | 1.39 |
C1—C6 | 1.39 | C23—H23 | 0.93 |
C2—C3 | 1.39 | C24—H24 | 0.93 |
C2—H2 | 0.93 | C25—C26 | 1.39 |
C3—C4 | 1.39 | C25—C30 | 1.39 |
C3—H3 | 0.93 | C26—C27 | 1.39 |
C4—C5 | 1.39 | C26—H26 | 0.93 |
C5—C6 | 1.39 | C27—C28 | 1.39 |
C5—H5 | 0.93 | C27—H27 | 0.93 |
C6—H6 | 0.93 | C28—C29 | 1.39 |
C7—C8 | 1.39 | C28—H28 | 0.93 |
C7—C12 | 1.39 | C29—C30 | 1.39 |
C8—C9 | 1.39 | C29—H29 | 0.93 |
C8—H8 | 0.93 | C30—H30 | 0.93 |
C9—C10 | 1.39 | C31—C31i | 1.527 (12) |
C9—H9 | 0.93 | C31—H31a | 0.97 |
C10—C11 | 1.39 | C31—H31b | 0.97 |
C1—Sn1—C7 | 120.4 (2) | C7—C12—H12 | 120 |
C1—Sn1—C13 | 122.3 (2) | C14—C13—C18 | 120 |
C1—Sn1—O1 | 87.0 (2) | C14—C13—Sn1 | 117.1 (2) |
C1—Sn1—Cl1' | 93.7 (7) | C18—C13—Sn1 | 122.9 (2) |
C1—Sn1—Br1 | 93.8 (3) | C15—C14—C13 | 120 |
C7—Sn1—C13 | 115.8 (2) | C15—C14—H14 | 120 |
C7—Sn1—O1 | 87.0 (2) | C13—C14—H14 | 120 |
C7—Sn1—Cl1' | 91.4 (6) | C14—C15—C16 | 120 |
C7—Sn1—Br1 | 95.4 (2) | C14—C15—H15 | 120 |
C13—Sn1—O1 | 83.4 (2) | C16—C15—H15 | 120 |
C13—Sn1—Cl1' | 97.5 (6) | C15—C16—C17 | 120 |
C13—Sn1—Br1 | 93.4 (2) | C15—C16—C3' | 120.1 (4) |
O1—Sn1—Cl1' | 178.4 (6) | C17—C16—C3' | 119.9 (4) |
O1—Sn1—Br1 | 176.7 (2) | C15—C16—Cl3 | 122.3 (5) |
C10—C2'—H2'1 | 109.5 | C17—C16—Cl3 | 117.7 (5) |
C10—C2'—H2'2 | 109.5 | C18—C17—C16 | 120 |
C10—C2'—H2'3 | 109.5 | C18—C17—H17 | 120 |
C16—C3'—H3'1 | 109.5 | C16—C17—H17 | 120 |
C16—C3'—H3'2 | 109.5 | C17—C18—C13 | 120 |
C16—C3'—H3'3 | 109.5 | C17—C18—H18 | 120 |
O1—P1—C19 | 109.6 (2) | C13—C18—H18 | 120 |
O1—P1—C25 | 114.7 (2) | C20—C19—C24 | 120 |
C19—P1—C25 | 108.6 (2) | C20—C19—P1 | 119.9 (3) |
O1—P1—C31 | 112.1 (3) | C24—C19—P1 | 119.9 (3) |
C19—P1—C31 | 105.4 (3) | C19—C20—C21 | 120 |
C25—P1—C31 | 106.1 (2) | C19—C20—H20 | 120 |
P1—O1—Sn1 | 148.4 (3) | C21—C20—H20 | 120 |
C2—C1—C6 | 120 | C20—C21—C22 | 120 |
C2—C1—Sn1 | 120.9 (2) | C20—C21—H21 | 120 |
C6—C1—Sn1 | 119.1 (2) | C22—C21—H21 | 120 |
C1—C2—C3 | 120 | C23—C22—C21 | 120 |
C1—C2—H2 | 120 | C23—C22—H22 | 120 |
C3—C2—H2 | 120 | C21—C22—H22 | 120 |
C4—C3—C2 | 120 | C22—C23—C24 | 120 |
C4—C3—H3 | 120 | C22—C23—H23 | 120 |
C2—C3—H3 | 120 | C24—C23—H23 | 120 |
C3—C4—C5 | 120 | C23—C24—C19 | 120 |
C3—C4—Cl1 | 121.0 (3) | C23—C24—H24 | 120 |
C5—C4—Cl1 | 119.0 (3) | C19—C24—H24 | 120 |
C6—C5—C4 | 120 | C26—C25—C30 | 120 |
C6—C5—H5 | 120 | C26—C25—P1 | 122.0 (2) |
C4—C5—H5 | 120 | C30—C25—P1 | 118.0 (2) |
C5—C6—C1 | 120 | C27—C26—C25 | 120 |
C5—C6—H6 | 120 | C27—C26—H26 | 120 |
C1—C6—H6 | 120 | C25—C26—H26 | 120 |
C8—C7—C12 | 120 | C26—C27—C28 | 120 |
C8—C7—Sn1 | 120.0 (3) | C26—C27—H27 | 120 |
C12—C7—Sn1 | 119.7 (3) | C28—C27—H27 | 120 |
C7—C8—C9 | 120 | C27—C28—C29 | 120 |
C7—C8—H8 | 120 | C27—C28—H28 | 120 |
C9—C8—H8 | 120 | C29—C28—H28 | 120 |
C10—C9—C8 | 120 | C30—C29—C28 | 120 |
C10—C9—H9 | 120 | C30—C29—H29 | 120 |
C8—C9—H9 | 120 | C28—C29—H29 | 120 |
C11—C10—C9 | 120 | C29—C30—C25 | 120 |
C11—C10—C2' | 120.0 (4) | C29—C30—H30 | 120 |
C9—C10—C2' | 120.0 (4) | C25—C30—H30 | 120 |
C11—C10—Cl2 | 120.2 (4) | C31i—C31—P1 | 111.0 (6) |
C9—C10—Cl2 | 119.8 (4) | C31i—C31—H31a | 109.4 |
C10—C11—C12 | 120 | P1—C31—H31a | 109.4 |
C10—C11—H11 | 120 | C31i—C31—H31b | 109.4 |
C12—C11—H11 | 120 | P1—C31—H31b | 109.4 |
C11—C12—C7 | 120 | H31a—C31—H31b | 108.0 |
C11—C12—H12 | 120 | ||
C19—P1—O1—Sn1 | 163.7 (4) | Sn1—C7—C12—C11 | 173.7 (2) |
C25—P1—O1—Sn1 | 41.4 (6) | C1—Sn1—C13—C14 | 148.8 (2) |
C31—P1—O1—Sn1 | −79.7 (6) | C7—Sn1—C13—C14 | −45.6 (2) |
C13—Sn1—O1—P1 | 113.9 (5) | O1—Sn1—C13—C14 | −129.0 (2) |
C1—Sn1—O1—P1 | −123.1 (5) | Cl1'—Sn1—C13—C14 | 49.6 (7) |
C7—Sn1—O1—P1 | −2.5 (5) | Br1—Sn1—C13—C14 | 52.1 (3) |
C13—Sn1—C1—C2 | 59.7 (3) | C1—Sn1—C13—C18 | −32.1 (3) |
C7—Sn1—C1—C2 | −105.3 (3) | C7—Sn1—C13—C18 | 133.6 (2) |
O1—Sn1—C1—C2 | −20.5 (3) | O1—Sn1—C13—C18 | 50.2 (2) |
Cl1'—Sn1—C1—C2 | 161.0 (5) | Cl1'—Sn1—C13—C18 | −131.2 (7) |
Br1—Sn1—C1—C2 | 156.2 (3) | Br1—Sn1—C13—C18 | −128.7 (3) |
C13—Sn1—C1—C6 | −120.8 (3) | Sn1—C13—C14—C15 | 179.2 (2) |
C7—Sn1—C1—C6 | 74.2 (3) | C14—C15—C16—C3' | −179.8 (3) |
O1—Sn1—C1—C6 | 158.9 (3) | C14—C15—C16—Cl3 | −179.8 (2) |
Cl1'—Sn1—C1—C6 | −19.6 (6) | C3'—C16—C17—C18 | 179.8 (3) |
Br1—Sn1—C1—C6 | −24.4 (3) | Cl3—C16—C17—C18 | 179.8 (2) |
Sn1—C1—C2—C3 | 179.4 (3) | Sn1—C13—C18—C17 | −179.1 (2) |
C2—C3—C4—Cl1 | −179.3 (4) | O1—P1—C19—C20 | 25.5 (4) |
Cl1—C4—C5—C6 | 179.3 (4) | C25—P1—C19—C20 | 151.3 (3) |
Sn1—C1—C6—C5 | −179.4 (3) | C31—P1—C19—C20 | −95.4 (3) |
C13—Sn1—C7—C8 | −4.2 (3) | O1—P1—C19—C24 | −159.6 (3) |
C1—Sn1—C7—C8 | 161.8 (2) | C25—P1—C19—C24 | −33.7 (3) |
O1—Sn1—C7—C8 | 77.0 (2) | C31—P1—C19—C24 | 79.6 (3) |
Cl1'—Sn1—C7—C8 | −103.2 (7) | P1—C19—C20—C21 | 174.9 (4) |
Br1—Sn1—C7—C8 | −100.7 (3) | P1—C19—C24—C23 | −174.9 (4) |
C13—Sn1—C7—C12 | −177.8 (2) | O1—P1—C25—C26 | −119.8 (3) |
C1—Sn1—C7—C12 | −11.9 (3) | C19—P1—C25—C26 | 117.3 (3) |
O1—Sn1—C7—C12 | −96.7 (2) | C31—P1—C25—C26 | 4.5 (4) |
Cl1'—Sn1—C7—C12 | 83.2 (7) | O1—P1—C25—C30 | 62.2 (3) |
Br1—Sn1—C7—C12 | 85.7 (3) | C19—P1—C25—C30 | −60.6 (3) |
Sn1—C7—C8—C9 | −173.6 (2) | C31—P1—C25—C30 | −173.4 (3) |
C8—C9—C10—C2' | 179.9 (3) | P1—C25—C26—C27 | −177.9 (3) |
C8—C9—C10—Cl2 | 179.2 (2) | P1—C25—C30—C29 | 178.0 (3) |
C2'—C10—C11—C12 | −179.9 (3) | O1—P1—C31—C31i | −57.7 (7) |
Cl2—C10—C11—C12 | −179.2 (2) | C19—P1—C31—C31i | 61.4 (7) |
C8—C7—C12—C11 | 0.0 | C25—P1—C31—C31i | 176.4 (6) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
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