Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Bis[2,3-bis(4-chlorophenyl)propenoato-κ²O:O′]di-n-butyltin(IV)

Sadiq-ur-Rehman, H. V. Ly, S. Ali, A. Badshah and M. Parvez

The crystal structure of the title compound, [Sn(C₄H₉)₂(C₁₅H₉Cl₂O₂)₂], has a highly distorted octahedral geometry that may be best described as a skew-trapezoid planar geometry with two additional axial ligands. The carboxylate ligands are asymmetrically coordinated to the Sn atoms, with short Sn—O covalent bonds [mean 2.098 (6) Å] and long dative bonds [mean 2.602 (12) Å]. The mean Sn—C distance for the n-butyl groups is 2.117 (13) Å, with a C—Sn—C angle of 139.18 (18)°.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804017039/lh6244sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804017039/lh6244Isup2.hkl Contains datablock I

CCDC reference: 248742

checkCIF report

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.007 Å
R factor = 0.047
wR factor = 0.138
Data-to-parameter ratio = 19.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....         C6

Author Response: Disordered n-Buty group.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H7'1

Author Response: Disordered C-atoms are responsible for this statement.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H7'2

Author Response: Disordered C-atoms are responsible for this statement.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H8'1

Author Response: Disordered C-atoms are responsible for this statement.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H8'2

Author Response: Disordered C-atoms are responsible for this statement.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H8'3

Author Response: Disordered C-atoms are responsible for this statement.

PLAT411_ALERT_2_A Short Inter H...H Contact  H1A    ..  H8'2    ..       1.34 Ang.
PLAT411_ALERT_2_A Short Inter H...H Contact  H3A    ..  H8'1    ..       1.18 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact  C1     ..  C8'     ..       2.89 Ang.

Author Response: The primed atom is from the minor component of the disordered n-butyl group. It is possible that the free refinement of this group has allowed the group to refine so that is is close to other atoms. The occupancy of this minor component is only around 20% therefore the position of the minor component is determined less precisely than the major component.

PLAT432_ALERT_2_A Short Inter X...Y Contact  C3     ..  C8'     ..       2.80 Ang.

Author Response: The primed atom is from the minor component of the disordered n-butyl group. It is possible that the free refinement of this group has allowed the group to refine so that is is close to other atoms. The occupancy of this minor component is only around 20% therefore the position of the minor component is determined less precisely than the major component.


Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....         C7
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C7'

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.07 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.29 Ratio
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Sn1
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C5
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C15
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C21
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C30
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C36
PLAT301_ALERT_3_C Main Residue  Disorder .........................       6.00 Perc.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C3     -   C4     ...       1.40 Ang.
PLAT410_ALERT_2_C Short Intra H...H Contact  H17    ..  H8'3    ..       1.91 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          7
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1
              C38.01 H36 Cl4 O4 Sn

  10 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  21 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: HKL DENZO (Otwinowski & Minor, 1997); data reduction: HKL SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SAPI91 (Fan, 1991); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Bis[2,3-bis(4-chlorophenyl)propenoato-κ²O:O']di-n-butyltin(IV) top

Crystal data top

[Sn(C₄H₉)₂(C₁₅H₉Cl₂O₂)₂]	F(000) = 1656
M_r = 817.16	D_x = 1.432 Mg m⁻³
Monoclinic, P2₁/c	Melting point: 379-381 K K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 11.877 (2) Å	Cell parameters from 16543 reflections
b = 21.552 (3) Å	θ = 3.2–27.5°
c = 14.817 (2) Å	µ = 0.99 mm⁻¹
β = 91.696 (7)°	T = 295 K
V = 3791.1 (10) Å³	Block, colorless
Z = 4	0.12 × 0.11 × 0.10 mm

Data collection top

Nonius KappaCCD diffractometer	8637 independent reflections
Radiation source: fine-focus sealed tube	5271 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
ω and φ scans	θ_max = 27.5°, θ_min = 3.2°
Absorption correction: multi-scan (SORTAV; Blessing, 1997)	h = −15→15
T_min = 0.890, T_max = 0.907	k = −25→27
16543 measured reflections	l = −19→19

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)] = 0.047	H-atom parameters constrained
wR(F²) = 0.138	w = 1/[σ²(F_o²) + (0.065P)² + 1.86P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max = 0.020
8637 reflections	Δρ_max = 0.96 e Å⁻³
445 parameters	Δρ_min = −0.61 e Å⁻³
4 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0013 (3)

Special details top

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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Sn1	0.11161 (2)	0.404182 (12)	−0.032922 (17)	0.05983 (13)
Cl1	0.01424 (18)	0.79137 (6)	−0.24056 (10)	0.1272 (6)
Cl2	0.20155 (15)	0.55710 (8)	−0.71828 (8)	0.1151 (5)
Cl3	0.5122 (14)	0.1529 (4)	0.3536 (8)	0.125 (3)	0.57 (4)
Cl3'	0.559 (3)	0.178 (2)	0.3346 (10)	0.175 (10)	0.43 (4)
Cl4	0.56336 (15)	−0.01017 (8)	−0.20322 (12)	0.1271 (6)
O1	0.1253 (3)	0.42651 (13)	−0.17042 (17)	0.0688 (7)
O2	0.0327 (2)	0.50347 (12)	−0.11038 (17)	0.0664 (7)
O3	0.2083 (3)	0.32843 (13)	−0.07302 (19)	0.0777 (8)
O4	0.2064 (3)	0.32226 (14)	0.0749 (2)	0.0845 (9)
C1	−0.0529 (4)	0.3696 (2)	−0.0206 (3)	0.0793 (12)
H1A	−0.0856	0.3900	0.0308	0.095*
H1B	−0.0964	0.3825	−0.0738	0.095*
C2	−0.0695 (5)	0.3017 (2)	−0.0095 (3)	0.0886 (14)
H2A	−0.0348	0.2886	0.0474	0.106*
H2B	−0.0326	0.2800	−0.0577	0.106*
C3	−0.1987 (5)	0.2839 (3)	−0.0111 (5)	0.123 (2)
H3A	−0.2360	0.3081	0.0343	0.147*
H3B	−0.2318	0.2951	−0.0695	0.147*
C4	−0.2197 (7)	0.2208 (3)	0.0045 (6)	0.167 (3)
H4A	−0.1762	0.1961	−0.0356	0.250*
H4B	−0.2984	0.2124	−0.0061	0.250*
H4C	−0.1990	0.2108	0.0659	0.250*
C5	0.2250 (4)	0.4661 (2)	0.0351 (3)	0.0782 (12)
H5A	0.1822	0.4963	0.0685	0.094*
H5B	0.2714	0.4429	0.0782	0.094*
C6	0.3049 (6)	0.5019 (3)	−0.0333 (4)	0.141 (3)
H6A	0.3586	0.4731	−0.0581	0.170*	0.784 (12)
H6B	0.2599	0.5192	−0.0829	0.170*	0.784 (12)
C7	0.3666 (6)	0.5531 (4)	0.0164 (5)	0.097 (2)	0.784 (12)
H7A	0.4185	0.5355	0.0613	0.116*	0.784 (12)
H7B	0.3133	0.5792	0.0472	0.116*	0.784 (12)
C8	0.4307 (10)	0.5913 (4)	−0.0511 (7)	0.149 (4)	0.784 (12)
H8A	0.3790	0.6077	−0.0961	0.224*	0.784 (12)
H8B	0.4852	0.5656	−0.0796	0.224*	0.784 (12)
H8C	0.4686	0.6249	−0.0203	0.224*	0.784 (12)
H6'1	0.3769	0.4856	−0.0116	0.170*	0.216 (12)
H6'2	0.2879	0.4777	−0.0872	0.170*	0.216 (12)
C7'	0.3464 (16)	0.5599 (7)	−0.0779 (18)	0.097 (2)	0.22
H7'1	0.3701	0.5505	−0.1385	0.116*	0.216 (12)
H7'2	0.4105	0.5765	−0.0438	0.116*	0.216 (12)
C8'	0.252 (3)	0.6072 (8)	−0.082 (2)	0.149 (4)	0.22
H8'1	0.2801	0.6468	−0.0622	0.224*	0.216 (12)
H8'2	0.1929	0.5942	−0.0430	0.224*	0.216 (12)
H8'3	0.2224	0.6105	−0.1427	0.224*	0.216 (12)
C9	0.0810 (3)	0.48131 (18)	−0.1761 (2)	0.0595 (9)
C10	0.0924 (3)	0.51641 (18)	−0.2619 (2)	0.0565 (9)
C11	0.1280 (3)	0.48578 (19)	−0.3345 (2)	0.0633 (10)
H11	0.1456	0.4443	−0.3241	0.076*
C12	0.0709 (3)	0.58447 (17)	−0.2578 (2)	0.0544 (9)
C13	−0.0351 (4)	0.60873 (19)	−0.2461 (3)	0.0680 (11)
H13	−0.0959	0.5819	−0.2406	0.082*
C14	−0.0530 (5)	0.6721 (2)	−0.2423 (3)	0.0818 (13)
H14	−0.1254	0.6876	−0.2361	0.098*
C15	0.0355 (6)	0.7112 (2)	−0.2475 (3)	0.0834 (14)
C16	0.1431 (5)	0.6889 (2)	−0.2577 (4)	0.0928 (15)
H16	0.2037	0.7161	−0.2608	0.111*
C17	0.1598 (4)	0.6253 (2)	−0.2634 (3)	0.0777 (12)
H17	0.2321	0.6100	−0.2711	0.093*
C18	0.1440 (4)	0.50660 (19)	−0.4278 (2)	0.0631 (10)
C19	0.0952 (4)	0.5599 (2)	−0.4662 (3)	0.0759 (12)
H19	0.0498	0.5852	−0.4316	0.091*
C20	0.1137 (4)	0.5753 (2)	−0.5547 (3)	0.0822 (14)
H20	0.0817	0.6110	−0.5795	0.099*
C21	0.1796 (4)	0.5377 (2)	−0.6062 (3)	0.0773 (12)
C22	0.2255 (4)	0.4848 (3)	−0.5720 (3)	0.0871 (14)
H22	0.2684	0.4591	−0.6079	0.105*
C23	0.2074 (4)	0.4696 (2)	−0.4830 (3)	0.0781 (13)
H23	0.2390	0.4333	−0.4595	0.094*
C24	0.2388 (4)	0.30191 (19)	0.0022 (3)	0.0697 (11)
C25	0.3133 (3)	0.24625 (18)	−0.0012 (3)	0.0619 (10)
C26	0.3290 (4)	0.21903 (19)	−0.0810 (3)	0.0709 (11)
H26	0.2930	0.2391	−0.1294	0.085*
C27	0.3661 (4)	0.22660 (18)	0.0863 (3)	0.0627 (10)
C28	0.3061 (4)	0.19314 (19)	0.1484 (3)	0.0702 (11)
H28	0.2306	0.1842	0.1359	0.084*
C29	0.3552 (6)	0.1728 (2)	0.2281 (3)	0.0960 (17)
H29	0.3137	0.1500	0.2688	0.115*
C30	0.4636 (7)	0.1862 (3)	0.2466 (4)	0.111 (2)
C31	0.5257 (5)	0.2203 (3)	0.1894 (5)	0.116 (2)
H31	0.6004	0.2298	0.2042	0.140*
C32	0.4764 (5)	0.2414 (3)	0.1074 (4)	0.0978 (16)
H32	0.5181	0.2650	0.0679	0.117*
C33	0.3918 (4)	0.16379 (18)	−0.1068 (3)	0.0657 (10)
C34	0.3827 (4)	0.1455 (2)	−0.1964 (3)	0.0777 (13)
H34	0.3407	0.1696	−0.2371	0.093*
C35	0.4347 (4)	0.0922 (2)	−0.2266 (3)	0.0864 (14)
H35	0.4254	0.0798	−0.2864	0.104*
C36	0.5003 (4)	0.0579 (2)	−0.1670 (3)	0.0818 (13)
C37	0.5146 (4)	0.0757 (2)	−0.0785 (3)	0.0830 (13)
H37	0.5606	0.0528	−0.0390	0.100*
C38	0.4598 (4)	0.1280 (2)	−0.0488 (3)	0.0762 (12)
H38	0.4685	0.1397	0.0114	0.091*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sn1	0.0729 (2)	0.05692 (19)	0.04976 (17)	0.00665 (13)	0.00289 (12)	0.00331 (11)
Cl1	0.227 (2)	0.0589 (7)	0.0964 (10)	0.0131 (9)	0.0128 (11)	−0.0041 (7)
Cl2	0.1561 (14)	0.1331 (13)	0.0573 (7)	−0.0068 (10)	0.0230 (7)	0.0154 (7)
Cl3	0.168 (5)	0.128 (5)	0.079 (3)	0.040 (3)	−0.022 (4)	0.0082 (19)
Cl3'	0.171 (12)	0.275 (19)	0.077 (4)	0.100 (14)	−0.040 (5)	0.007 (7)
Cl4	0.1329 (13)	0.1149 (12)	0.1337 (13)	0.0534 (10)	0.0056 (10)	−0.0415 (10)
O1	0.097 (2)	0.0579 (16)	0.0518 (14)	0.0127 (15)	0.0025 (14)	0.0041 (12)
O2	0.0820 (19)	0.0669 (17)	0.0505 (14)	0.0063 (14)	0.0061 (13)	0.0030 (12)
O3	0.103 (2)	0.0672 (18)	0.0636 (17)	0.0243 (16)	0.0100 (15)	0.0120 (14)
O4	0.109 (3)	0.079 (2)	0.0669 (18)	0.0313 (18)	0.0242 (17)	0.0091 (15)
C1	0.087 (3)	0.072 (3)	0.079 (3)	−0.006 (2)	0.007 (2)	−0.011 (2)
C2	0.111 (4)	0.077 (3)	0.079 (3)	−0.011 (3)	0.005 (3)	0.005 (2)
C3	0.110 (5)	0.083 (4)	0.176 (6)	−0.014 (3)	0.004 (4)	−0.012 (4)
C4	0.173 (8)	0.110 (6)	0.220 (9)	−0.016 (5)	0.041 (7)	0.011 (6)
C5	0.091 (3)	0.078 (3)	0.065 (3)	−0.004 (3)	−0.007 (2)	0.002 (2)
C6	0.162 (7)	0.124 (5)	0.135 (5)	−0.054 (5)	−0.054 (5)	0.009 (4)
C7	0.081 (5)	0.109 (6)	0.102 (5)	−0.009 (4)	0.010 (4)	−0.007 (4)
C8	0.183 (10)	0.114 (7)	0.155 (8)	−0.017 (6)	0.073 (7)	0.012 (5)
C6'	0.162 (7)	0.124 (5)	0.135 (5)	−0.054 (5)	−0.054 (5)	0.009 (4)
C7'	0.081 (5)	0.109 (6)	0.102 (5)	−0.009 (4)	0.010 (4)	−0.007 (4)
C8'	0.183 (10)	0.114 (7)	0.155 (8)	−0.017 (6)	0.073 (7)	0.012 (5)
C9	0.069 (3)	0.061 (2)	0.049 (2)	−0.0015 (19)	−0.0032 (18)	0.0003 (18)
C10	0.063 (2)	0.060 (2)	0.0461 (19)	−0.0026 (18)	−0.0015 (16)	−0.0003 (17)
C11	0.077 (3)	0.062 (2)	0.052 (2)	0.007 (2)	0.0028 (18)	0.0044 (18)
C12	0.067 (3)	0.055 (2)	0.0412 (18)	−0.0018 (18)	0.0020 (16)	0.0017 (15)
C13	0.076 (3)	0.065 (3)	0.063 (2)	0.004 (2)	0.008 (2)	0.0062 (19)
C14	0.102 (4)	0.071 (3)	0.073 (3)	0.017 (3)	0.014 (3)	0.006 (2)
C15	0.136 (5)	0.062 (3)	0.053 (2)	0.003 (3)	0.006 (3)	−0.001 (2)
C16	0.103 (4)	0.072 (3)	0.103 (4)	−0.023 (3)	−0.004 (3)	−0.005 (3)
C17	0.077 (3)	0.068 (3)	0.088 (3)	−0.008 (2)	0.003 (2)	−0.002 (2)
C18	0.075 (3)	0.065 (2)	0.049 (2)	0.001 (2)	0.0008 (18)	−0.0022 (18)
C19	0.106 (4)	0.071 (3)	0.051 (2)	0.017 (2)	0.003 (2)	−0.004 (2)
C20	0.120 (4)	0.072 (3)	0.055 (2)	0.010 (3)	0.006 (2)	0.008 (2)
C21	0.091 (3)	0.091 (3)	0.051 (2)	−0.008 (3)	0.008 (2)	0.002 (2)
C22	0.101 (4)	0.103 (4)	0.059 (3)	0.017 (3)	0.017 (2)	−0.005 (2)
C23	0.095 (3)	0.079 (3)	0.061 (2)	0.020 (3)	0.009 (2)	0.001 (2)
C24	0.079 (3)	0.059 (2)	0.072 (3)	0.011 (2)	0.016 (2)	0.009 (2)
C25	0.072 (3)	0.055 (2)	0.059 (2)	0.0080 (19)	0.0154 (19)	0.0101 (18)
C26	0.088 (3)	0.062 (2)	0.063 (2)	0.015 (2)	0.008 (2)	0.015 (2)
C27	0.071 (3)	0.054 (2)	0.064 (2)	0.0095 (19)	0.011 (2)	−0.0023 (18)
C28	0.086 (3)	0.064 (2)	0.061 (2)	0.009 (2)	0.003 (2)	0.001 (2)
C29	0.140 (5)	0.085 (4)	0.063 (3)	0.037 (4)	0.013 (3)	0.008 (2)
C30	0.135 (6)	0.115 (5)	0.080 (4)	0.054 (4)	−0.026 (4)	−0.021 (3)
C31	0.082 (4)	0.129 (5)	0.136 (6)	0.011 (4)	−0.035 (4)	−0.034 (5)
C32	0.081 (4)	0.102 (4)	0.110 (4)	−0.010 (3)	0.004 (3)	−0.009 (3)
C33	0.077 (3)	0.057 (2)	0.064 (2)	0.005 (2)	0.011 (2)	0.0055 (19)
C34	0.092 (3)	0.086 (3)	0.056 (2)	0.019 (3)	0.019 (2)	0.006 (2)
C35	0.097 (4)	0.101 (4)	0.062 (3)	0.018 (3)	0.019 (2)	−0.007 (2)
C36	0.075 (3)	0.082 (3)	0.089 (3)	0.016 (2)	0.017 (3)	−0.018 (3)
C37	0.086 (3)	0.076 (3)	0.087 (3)	0.022 (3)	−0.002 (3)	−0.005 (3)
C38	0.089 (3)	0.071 (3)	0.069 (3)	0.016 (2)	0.004 (2)	−0.008 (2)

Geometric parameters (Å, º) top

Sn1—O3	2.092 (3)	C11—C18	1.471 (5)
Sn1—O1	2.104 (3)	C11—H11	0.9300
Sn1—C1	2.104 (5)	C12—C13	1.379 (6)
Sn1—C5	2.129 (4)	C12—C17	1.380 (6)
Sn1—O2	2.590 (3)	C13—C14	1.383 (6)
Sn1—O4	2.614 (3)	C13—H13	0.9300
Cl1—C15	1.750 (5)	C14—C15	1.351 (7)
Cl2—C21	1.740 (4)	C14—H14	0.9300
Cl3—C30	1.819 (10)	C15—C16	1.379 (7)
Cl3'—C30	1.710 (11)	C16—C17	1.387 (7)
Cl4—C36	1.739 (5)	C16—H16	0.9300
O1—C9	1.294 (5)	C17—H17	0.9300
O2—C9	1.240 (4)	C18—C23	1.382 (6)
O3—C24	1.295 (5)	C18—C19	1.401 (6)
O4—C24	1.234 (5)	C19—C20	1.376 (6)
C1—C2	1.486 (6)	C19—H19	0.9300
C1—H1A	0.9700	C20—C21	1.373 (7)
C1—H1B	0.9700	C20—H20	0.9300
C2—C3	1.581 (8)	C21—C22	1.356 (7)
C2—H2A	0.9700	C22—C23	1.382 (6)
C2—H2B	0.9700	C22—H22	0.9300
C3—C4	1.402 (8)	C23—H23	0.9300
C3—H3A	0.9700	C24—C25	1.492 (5)
C3—H3B	0.9700	C25—C26	1.337 (6)
C4—H4A	0.9600	C25—C27	1.486 (5)
C4—H4B	0.9600	C26—C33	1.462 (6)
C4—H4C	0.9600	C26—H26	0.9300
C5—C6	1.607 (6)	C27—C32	1.376 (6)
C5—H5A	0.9700	C27—C28	1.384 (6)
C5—H5B	0.9700	C28—C29	1.373 (6)
C6—C7	1.505 (8)	C28—H28	0.9300
C6—H6A	0.9700	C29—C30	1.341 (9)
C6—H6B	0.9700	C29—H29	0.9300
C7—C8	1.519 (10)	C30—C31	1.356 (9)
C7—H7A	0.9700	C31—C32	1.407 (8)
C7—H7B	0.9700	C31—H31	0.9300
C8—H8A	0.9600	C32—H32	0.9300
C8—H8B	0.9600	C33—C34	1.385 (6)
C8—H8C	0.9600	C33—C38	1.395 (6)
C7'—C8'	1.517 (10)	C34—C35	1.384 (6)
C7'—H7'1	0.9700	C34—H34	0.9300
C7'—H7'2	0.9700	C35—C36	1.376 (7)
C8'—H8'1	0.9600	C35—H35	0.9300
C8'—H8'2	0.9600	C36—C37	1.372 (7)
C8'—H8'3	0.9600	C37—C38	1.381 (6)
C9—C10	1.489 (5)	C37—H37	0.9300
C10—C11	1.342 (5)	C38—H38	0.9300
C10—C12	1.491 (5)

O3—Sn1—O1	81.07 (11)	C17—C12—C10	119.6 (4)
O3—Sn1—C1	105.52 (15)	C12—C13—C14	121.4 (4)
O1—Sn1—C1	105.29 (16)	C12—C13—H13	119.3
O3—Sn1—C5	106.19 (17)	C14—C13—H13	119.3
O1—Sn1—C5	104.44 (14)	C15—C14—C13	119.5 (5)
C1—Sn1—C5	139.18 (18)	C15—C14—H14	120.2
O3—Sn1—O2	135.49 (9)	C13—C14—H14	120.2
O1—Sn1—O2	54.51 (9)	C14—C15—C16	121.0 (5)
C1—Sn1—O2	90.35 (15)	C14—C15—Cl1	120.0 (5)
C5—Sn1—O2	84.70 (14)	C16—C15—Cl1	119.1 (4)
O3—Sn1—O4	54.29 (10)	C15—C16—C17	119.0 (5)
O1—Sn1—O4	134.59 (10)	C15—C16—H16	120.5
C1—Sn1—O4	95.29 (15)	C17—C16—H16	120.5
C5—Sn1—O4	83.04 (15)	C12—C17—C16	121.1 (5)
O2—Sn1—O4	166.53 (9)	C12—C17—H17	119.5
C9—O1—Sn1	103.2 (2)	C16—C17—H17	119.5
C9—O2—Sn1	82.0 (2)	C23—C18—C19	117.4 (4)
C24—O3—Sn1	104.0 (2)	C23—C18—C11	117.9 (4)
C24—O4—Sn1	81.2 (2)	C19—C18—C11	124.7 (4)
C2—C1—Sn1	119.0 (4)	C20—C19—C18	120.6 (4)
C2—C1—H1A	107.6	C20—C19—H19	119.7
Sn1—C1—H1A	107.6	C18—C19—H19	119.7
C2—C1—H1B	107.6	C21—C20—C19	119.8 (4)
Sn1—C1—H1B	107.6	C21—C20—H20	120.1
H1A—C1—H1B	107.0	C19—C20—H20	120.1
C1—C2—C3	111.7 (5)	C22—C21—C20	121.2 (4)
C1—C2—H2A	109.3	C22—C21—Cl2	119.2 (4)
C3—C2—H2A	109.3	C20—C21—Cl2	119.6 (4)
C1—C2—H2B	109.3	C21—C22—C23	119.0 (4)
C3—C2—H2B	109.3	C21—C22—H22	120.5
H2A—C2—H2B	107.9	C23—C22—H22	120.5
C4—C3—C2	114.3 (6)	C22—C23—C18	122.0 (4)
C4—C3—H3A	108.7	C22—C23—H23	119.0
C2—C3—H3A	108.7	C18—C23—H23	119.0
C4—C3—H3B	108.7	O4—C24—O3	120.5 (4)
C2—C3—H3B	108.7	O4—C24—C25	121.1 (4)
H3A—C3—H3B	107.6	O3—C24—C25	118.4 (4)
C3—C4—H4A	109.5	C26—C25—C27	125.5 (4)
C3—C4—H4B	109.5	C26—C25—C24	118.8 (4)
H4A—C4—H4B	109.5	C27—C25—C24	115.7 (3)
C3—C4—H4C	109.5	C25—C26—C33	132.4 (4)
H4A—C4—H4C	109.5	C25—C26—H26	113.8
H4B—C4—H4C	109.5	C33—C26—H26	113.8
C6—C5—Sn1	112.3 (3)	C32—C27—C28	118.4 (4)
C6—C5—H5A	109.2	C32—C27—C25	120.5 (4)
Sn1—C5—H5A	109.2	C28—C27—C25	121.1 (4)
C6—C5—H5B	109.2	C29—C28—C27	121.6 (5)
Sn1—C5—H5B	109.2	C29—C28—H28	119.2
H5A—C5—H5B	107.9	C27—C28—H28	119.2
C7—C6—C5	109.3 (5)	C30—C29—C28	119.2 (6)
C7—C6—H6A	109.8	C30—C29—H29	120.4
C5—C6—H6A	109.8	C28—C29—H29	120.4
C7—C6—H6B	109.8	C29—C30—C31	121.8 (6)
C5—C6—H6B	109.8	C29—C30—Cl3'	138.1 (18)
H6A—C6—H6B	108.3	C31—C30—Cl3'	99.9 (19)
C6—C7—C8	108.8 (6)	C29—C30—Cl3	111.7 (9)
C6—C7—H7A	109.9	C31—C30—Cl3	126.5 (9)
C8—C7—H7A	109.9	C30—C31—C32	119.6 (6)
C6—C7—H7B	109.9	C30—C31—H31	120.2
C8—C7—H7B	109.9	C32—C31—H31	120.2
H7A—C7—H7B	108.3	C27—C32—C31	119.4 (6)
C8'—C7'—H7'1	109.9	C27—C32—H32	120.3
C8'—C7'—H7'2	109.9	C31—C32—H32	120.3
H7'1—C7'—H7'2	108.3	C34—C33—C38	117.4 (4)
C7'—C8'—H8'1	109.5	C34—C33—C26	117.2 (4)
C7'—C8'—H8'2	109.5	C38—C33—C26	125.4 (4)
H8'1—C8'—H8'2	109.5	C35—C34—C33	121.5 (4)
C7'—C8'—H8'3	109.5	C35—C34—H34	119.2
H8'1—C8'—H8'3	109.5	C33—C34—H34	119.2
H8'2—C8'—H8'3	109.5	C36—C35—C34	119.2 (4)
O2—C9—O1	119.8 (3)	C36—C35—H35	120.4
O2—C9—C10	122.0 (4)	C34—C35—H35	120.4
O1—C9—C10	118.1 (3)	C37—C36—C35	120.9 (4)
C11—C10—C9	118.3 (4)	C37—C36—Cl4	119.3 (4)
C11—C10—C12	125.1 (3)	C35—C36—Cl4	119.8 (4)
C9—C10—C12	116.5 (3)	C36—C37—C38	119.2 (5)
C10—C11—C18	131.0 (4)	C36—C37—H37	120.4
C10—C11—H11	114.5	C38—C37—H37	120.4
C18—C11—H11	114.5	C37—C38—C33	121.6 (4)
C13—C12—C17	118.0 (4)	C37—C38—H38	119.2
C13—C12—C10	122.4 (4)	C33—C38—H38	119.2

O3—Sn1—O1—C9	−172.9 (3)	Cl1—C15—C16—C17	−179.9 (4)
C1—Sn1—O1—C9	83.4 (3)	C13—C12—C17—C16	−0.2 (6)
C5—Sn1—O1—C9	−68.3 (3)	C10—C12—C17—C16	−178.5 (4)
O2—Sn1—O1—C9	4.2 (2)	C15—C16—C17—C12	−0.9 (8)
O4—Sn1—O1—C9	−162.8 (2)	C10—C11—C18—C23	164.4 (5)
O3—Sn1—O2—C9	−0.1 (3)	C10—C11—C18—C19	−18.8 (7)
O1—Sn1—O2—C9	−4.3 (2)	C23—C18—C19—C20	−2.2 (7)
C1—Sn1—O2—C9	−112.9 (3)	C11—C18—C19—C20	−179.1 (4)
C5—Sn1—O2—C9	107.7 (3)	C18—C19—C20—C21	0.7 (8)
O4—Sn1—O2—C9	132.2 (4)	C19—C20—C21—C22	1.3 (8)
O1—Sn1—O3—C24	170.1 (3)	C19—C20—C21—Cl2	179.4 (4)
C1—Sn1—O3—C24	−86.4 (3)	C20—C21—C22—C23	−1.7 (8)
C5—Sn1—O3—C24	67.6 (3)	Cl2—C21—C22—C23	−179.8 (4)
O2—Sn1—O3—C24	166.7 (2)	C21—C22—C23—C18	0.1 (8)
O4—Sn1—O3—C24	−1.1 (3)	C19—C18—C23—C22	1.8 (7)
O3—Sn1—O4—C24	1.1 (3)	C11—C18—C23—C22	178.9 (5)
O1—Sn1—O4—C24	−11.2 (3)	Sn1—O4—C24—O3	−1.7 (4)
C1—Sn1—O4—C24	106.4 (3)	Sn1—O4—C24—C25	178.6 (4)
C5—Sn1—O4—C24	−114.6 (3)	Sn1—O3—C24—O4	2.1 (5)
O2—Sn1—O4—C24	−139.2 (4)	Sn1—O3—C24—C25	−178.1 (3)
O3—Sn1—C1—C2	20.3 (4)	O4—C24—C25—C26	167.6 (4)
O1—Sn1—C1—C2	105.0 (4)	O3—C24—C25—C26	−12.1 (6)
C5—Sn1—C1—C2	−119.6 (4)	O4—C24—C25—C27	−13.6 (6)
O2—Sn1—C1—C2	158.2 (4)	O3—C24—C25—C27	166.7 (4)
O4—Sn1—C1—C2	−34.1 (4)	C27—C25—C26—C33	3.9 (8)
Sn1—C1—C2—C3	−174.3 (4)	C24—C25—C26—C33	−177.4 (4)
C1—C2—C3—C4	−176.4 (6)	C26—C25—C27—C32	77.8 (6)
O3—Sn1—C5—C6	73.7 (4)	C24—C25—C27—C32	−100.9 (5)
O1—Sn1—C5—C6	−11.1 (4)	C26—C25—C27—C28	−102.2 (5)
C1—Sn1—C5—C6	−146.7 (4)	C24—C25—C27—C28	79.1 (5)
O2—Sn1—C5—C6	−62.3 (4)	C32—C27—C28—C29	−2.4 (6)
O4—Sn1—C5—C6	123.3 (4)	C25—C27—C28—C29	177.6 (4)
Sn1—C5—C6—C7	169.3 (5)	C27—C28—C29—C30	0.6 (7)
C5—C6—C7—C8	−173.2 (7)	C28—C29—C30—C31	1.2 (9)
Sn1—O2—C9—O1	6.5 (3)	C28—C29—C30—Cl3'	174.0 (15)
Sn1—O2—C9—C10	−172.1 (4)	C28—C29—C30—Cl3	−178.2 (4)
Sn1—O1—C9—O2	−8.2 (4)	C29—C30—C31—C32	−1.3 (10)
Sn1—O1—C9—C10	170.5 (3)	Cl3'—C30—C31—C32	−176.4 (9)
O2—C9—C10—C11	−168.7 (4)	Cl3—C30—C31—C32	178.1 (5)
O1—C9—C10—C11	12.7 (6)	C28—C27—C32—C31	2.2 (7)
O2—C9—C10—C12	15.6 (6)	C25—C27—C32—C31	−177.8 (5)
O1—C9—C10—C12	−163.0 (4)	C30—C31—C32—C27	−0.5 (9)
C9—C10—C11—C18	177.8 (4)	C25—C26—C33—C34	174.8 (5)
C12—C10—C11—C18	−6.9 (7)	C25—C26—C33—C38	−5.1 (8)
C11—C10—C12—C13	114.8 (5)	C38—C33—C34—C35	3.0 (7)
C9—C10—C12—C13	−69.8 (5)	C26—C33—C34—C35	−177.0 (4)
C11—C10—C12—C17	−67.0 (5)	C33—C34—C35—C36	−2.5 (8)
C9—C10—C12—C17	108.4 (4)	C34—C35—C36—C37	0.1 (8)
C17—C12—C13—C14	1.6 (6)	C34—C35—C36—Cl4	178.4 (4)
C10—C12—C13—C14	179.8 (4)	C35—C36—C37—C38	1.6 (8)
C12—C13—C14—C15	−1.9 (7)	Cl4—C36—C37—C38	−176.7 (4)
C13—C14—C15—C16	0.8 (7)	C36—C37—C38—C33	−1.0 (8)
C13—C14—C15—Cl1	−178.8 (3)	C34—C33—C38—C37	−1.2 (7)
C14—C15—C16—C17	0.6 (8)	C26—C33—C38—C37	178.7 (5)

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