Tetra­methyl­ammonium bis­(2-benzoyl­benzoato-κO)triphenyl­stannate(IV)

The coordination polyhedron of the five-coordinate Sn atom in the title salt, (C₄H₁₂N)[Sn(C₆H₅)₃(C₁₄H₉O₃)₂], is a trans-C₃SnO₂ trigonal bipyramid, involving two monodentate 2-benzoyl­benzoate ligands and three phenyl groups. The O—Sn—O unit is almost linear [O—Sn—O = 174.56 (8)°].

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.053
• wR factor = 0.121
• Data-to-parameter ratio = 33.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         39 Perc.

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.22 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C73
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N1
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4
            O61 -SN1 -O41 -C41   156.00  0.70   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8
            O41 -SN1 -O61 -C61   -39.90  0.90   1.555   1.555   1.555   1.555

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: GENHKL (Kretschmar, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON99 (Spek, 1999); software used to prepare material for publication: SHELXL97.

Tetramethylammonium bis(2-benzoylbenzoato-κO)triphenylstannate(IV)

Crystal data

(C4H12N)[Sn(C6H5)3(C14H9O3)2]	F(000) = 1800
Mr = 874.56	Dx = 1.377 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 9.7481 (11) Å	Cell parameters from 25 reflections
b = 29.787 (5) Å	θ = 13.2–13.8°
c = 14.704 (5) Å	µ = 0.66 mm^−1
β = 98.793 (14)°	T = 293 K
V = 4219.3 (16) Å^3	Prism, colourless
Z = 4	0.50 × 0.30 × 0.30 mm

Data collection

Enraf–Nonius MACH3 diffractometer	6852 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.054
Graphite monochromator	θmax = 34.2°, θmin = 2.2°
ω scans	h = −15→0
Absorption correction: empirical (using intensity measurements) ψ scan (North et al., 1968)	k = 0→47
Tmin = 0.735, Tmax = 0.827	l = −23→23
18605 measured reflections	3 standard reflections every 120 min
17529 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.053	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.121	H-atom parameters constrained
S = 0.96	w = 1/[σ^2(Fo^2) + (0.0351P)^2] where P = (Fo^2 + 2Fc^2)/3
17529 reflections	(Δ/σ)max = 0.001
527 parameters	Δρmax = 0.66 e Å^−3
0 restraints	Δρmin = −1.88 e Å^−3

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 (Ų)

	x	y	z	Uiso*/Ueq
Sn1	0.05137 (2)	0.120998 (6)	0.701655 (14)	0.03251 (6)
O41	0.1075 (2)	0.19325 (7)	0.68249 (15)	0.0426 (5)
O42	0.3198 (2)	0.20560 (7)	0.76120 (17)	0.0523 (6)
O43	0.4707 (3)	0.26604 (9)	0.64239 (17)	0.0667 (8)
O61	−0.0244 (2)	0.05184 (6)	0.71583 (14)	0.0383 (5)
O62	−0.2021 (2)	0.07088 (8)	0.78754 (18)	0.0595 (7)
O63	0.0909 (3)	−0.04671 (10)	0.6440 (2)	0.0854 (10)
C11	−0.1295 (3)	0.13715 (10)	0.6065 (2)	0.0352 (7)
C12	−0.1661 (3)	0.10951 (11)	0.5312 (2)	0.0449 (8)
H12	−0.1178	0.0829	0.5271	0.054*
C13	−0.2726 (4)	0.12056 (14)	0.4619 (3)	0.0614 (10)
H13	−0.2944	0.1015	0.4117	0.074*
C14	−0.3464 (4)	0.15923 (15)	0.4662 (3)	0.0669 (11)
H14	−0.4176	0.1668	0.4191	0.080*
C15	−0.3137 (4)	0.18682 (13)	0.5415 (3)	0.0667 (12)
H15	−0.3647	0.2129	0.5461	0.080*
C16	−0.2057 (4)	0.17603 (11)	0.6103 (3)	0.0503 (9)
H16	−0.1838	0.1953	0.6601	0.060*
C21	0.0865 (3)	0.13229 (10)	0.8466 (2)	0.0382 (7)
C22	0.0685 (4)	0.17350 (12)	0.8858 (3)	0.0582 (10)
H22	0.0373	0.1976	0.8480	0.070*
C23	0.0957 (5)	0.17984 (15)	0.9797 (3)	0.0795 (14)
H23	0.0823	0.2079	1.0045	0.095*
C24	0.1427 (5)	0.14456 (19)	1.0369 (3)	0.0828 (15)
H24	0.1604	0.1486	1.1003	0.099*
C25	0.1633 (4)	0.10334 (16)	0.9990 (3)	0.0717 (12)
H25	0.1975	0.0796	1.0369	0.086*
C26	0.1332 (4)	0.09715 (12)	0.9051 (2)	0.0523 (9)
H26	0.1445	0.0689	0.8805	0.063*
C31	0.2143 (3)	0.09266 (10)	0.6381 (2)	0.0360 (7)
C32	0.3432 (3)	0.11260 (11)	0.6441 (2)	0.0481 (9)
H32	0.3590	0.1397	0.6753	0.058*
C33	0.4497 (4)	0.09351 (14)	0.6049 (3)	0.0621 (11)
H33	0.5361	0.1074	0.6110	0.075*
C34	0.4270 (4)	0.05410 (13)	0.5571 (3)	0.0604 (10)
H34	0.4983	0.0410	0.5309	0.073*
C35	0.2995 (4)	0.03394 (12)	0.5478 (3)	0.0629 (11)
H35	0.2837	0.0075	0.5143	0.075*
C36	0.1941 (4)	0.05293 (11)	0.5883 (2)	0.0520 (9)
H36	0.1081	0.0388	0.5820	0.062*
C41	0.2087 (3)	0.21802 (10)	0.7176 (2)	0.0356 (7)
C42	0.1822 (3)	0.26829 (10)	0.7067 (2)	0.0338 (7)
C43	0.0486 (4)	0.28496 (11)	0.6975 (2)	0.0470 (8)
H43	−0.0260	0.2652	0.6924	0.056*
C44	0.0243 (4)	0.33082 (12)	0.6957 (2)	0.0566 (10)
H44	−0.0661	0.3417	0.6892	0.068*
C45	0.1343 (4)	0.36020 (12)	0.7035 (3)	0.0583 (10)
H45	0.1183	0.3910	0.7034	0.070*
C46	0.2684 (4)	0.34403 (11)	0.7117 (2)	0.0524 (9)
H46	0.3424	0.3640	0.7164	0.063*
C47	0.2937 (3)	0.29816 (10)	0.7129 (2)	0.0382 (7)
C48	0.4400 (4)	0.28256 (11)	0.7118 (2)	0.0428 (8)
C49	0.5466 (3)	0.29081 (10)	0.7944 (2)	0.0396 (7)
C50	0.5108 (4)	0.30348 (12)	0.8785 (2)	0.0528 (9)
H50	0.4182	0.3082	0.8841	0.063*
C51	0.6123 (5)	0.30904 (14)	0.9537 (3)	0.0695 (12)
H51	0.5878	0.3180	1.0096	0.083*
C52	0.7492 (5)	0.30157 (15)	0.9470 (3)	0.0742 (13)
H52	0.8168	0.3050	0.9984	0.089*
C53	0.7865 (4)	0.28910 (13)	0.8643 (3)	0.0643 (11)
H53	0.8794	0.2842	0.8597	0.077*
C54	0.6859 (4)	0.28388 (11)	0.7879 (3)	0.0492 (9)
H54	0.7115	0.2757	0.7319	0.059*
C61	−0.1389 (3)	0.04399 (10)	0.7468 (2)	0.0380 (7)
C62	−0.1970 (3)	−0.00272 (10)	0.7274 (2)	0.0392 (7)
C63	−0.3387 (4)	−0.00844 (12)	0.7236 (3)	0.0524 (9)
H63	−0.3932	0.0156	0.7371	0.063*
C64	−0.4001 (4)	−0.04973 (14)	0.6997 (3)	0.0695 (12)
H64	−0.4951	−0.0534	0.6984	0.083*
C65	−0.3219 (5)	−0.08466 (13)	0.6784 (3)	0.0752 (13)
H65	−0.3638	−0.1121	0.6616	0.090*
C66	−0.1823 (5)	−0.07988 (11)	0.6813 (3)	0.0645 (11)
H66	−0.1299	−0.1041	0.6665	0.077*
C67	−0.1170 (4)	−0.03903 (10)	0.7062 (2)	0.0456 (8)
C68	0.0386 (4)	−0.03697 (11)	0.7104 (3)	0.0539 (10)
C69	0.1260 (4)	−0.02751 (11)	0.8003 (3)	0.0530 (10)
C70	0.0771 (4)	−0.03359 (12)	0.8829 (3)	0.0624 (11)
H70	−0.0143	−0.0426	0.8826	0.075*
C71	0.1616 (5)	−0.02650 (15)	0.9657 (3)	0.0853 (15)
H71	0.1280	−0.0311	1.0209	0.102*
C72	0.2967 (7)	−0.01256 (17)	0.9659 (5)	0.109 (2)
H72	0.3547	−0.0073	1.0212	0.131*
C73	0.3450 (5)	−0.00648 (18)	0.8831 (5)	0.108 (2)
H73	0.4359	0.0030	0.8831	0.130*
C74	0.2612 (4)	−0.01418 (13)	0.8013 (4)	0.0745 (13)
H74	0.2957	−0.0104	0.7462	0.089*
N1	0.1092 (3)	0.34922 (10)	0.4033 (2)	0.0514 (8)
C1	0.1423 (4)	0.33287 (12)	0.3134 (2)	0.0609 (10)
H1A	0.1758	0.3574	0.2807	0.091*
H1B	0.0600	0.3207	0.2777	0.091*
H1C	0.2122	0.3100	0.3240	0.091*
C2	0.0415 (6)	0.31328 (16)	0.4493 (3)	0.114 (2)
H2A	−0.0365	0.3019	0.4080	0.171*
H2B	0.0102	0.3251	0.5033	0.171*
H2C	0.1066	0.2895	0.4666	0.171*
C3	0.2387 (5)	0.36385 (16)	0.4622 (3)	0.0860 (14)
H3A	0.2960	0.3382	0.4801	0.129*
H3B	0.2161	0.3785	0.5161	0.129*
H3C	0.2880	0.3843	0.4285	0.129*
C4	0.0155 (5)	0.38824 (16)	0.3847 (4)	0.1048 (18)
H4A	0.0614	0.4115	0.3556	0.157*
H4B	−0.0085	0.3992	0.4416	0.157*
H4C	−0.0673	0.3793	0.3448	0.157*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.03241 (10)	0.02840 (9)	0.03730 (11)	−0.00026 (11)	0.00720 (8)	−0.00198 (11)
O41	0.0452 (13)	0.0312 (11)	0.0498 (14)	−0.0095 (10)	0.0017 (11)	0.0003 (10)
O42	0.0445 (15)	0.0371 (13)	0.0710 (17)	0.0028 (11)	−0.0050 (13)	0.0007 (12)
O43	0.0619 (18)	0.090 (2)	0.0523 (16)	−0.0128 (15)	0.0215 (14)	−0.0236 (15)
O61	0.0373 (12)	0.0272 (10)	0.0521 (14)	−0.0021 (9)	0.0119 (11)	−0.0011 (10)
O62	0.0527 (16)	0.0447 (14)	0.087 (2)	−0.0006 (12)	0.0284 (14)	−0.0227 (13)
O63	0.089 (2)	0.076 (2)	0.101 (2)	0.0003 (17)	0.045 (2)	−0.0377 (18)
C11	0.0303 (16)	0.0316 (15)	0.0446 (18)	−0.0001 (13)	0.0091 (14)	0.0010 (14)
C12	0.0378 (19)	0.045 (2)	0.051 (2)	0.0036 (15)	0.0024 (16)	−0.0090 (15)
C13	0.045 (2)	0.085 (3)	0.051 (2)	−0.002 (2)	−0.0019 (17)	−0.014 (2)
C14	0.047 (2)	0.082 (3)	0.068 (3)	0.011 (2)	−0.003 (2)	0.007 (2)
C15	0.050 (2)	0.048 (2)	0.100 (4)	0.0198 (19)	0.004 (2)	0.008 (2)
C16	0.049 (2)	0.0396 (19)	0.061 (2)	0.0070 (17)	0.0037 (19)	−0.0067 (17)
C21	0.0374 (18)	0.0381 (18)	0.0406 (18)	−0.0073 (13)	0.0105 (14)	−0.0067 (14)
C22	0.079 (3)	0.046 (2)	0.056 (2)	−0.009 (2)	0.028 (2)	−0.0107 (18)
C23	0.111 (4)	0.071 (3)	0.064 (3)	−0.031 (3)	0.037 (3)	−0.031 (2)
C24	0.087 (3)	0.123 (4)	0.039 (2)	−0.042 (3)	0.011 (2)	−0.018 (3)
C25	0.077 (3)	0.086 (3)	0.049 (3)	−0.011 (3)	−0.001 (2)	0.011 (2)
C26	0.058 (2)	0.054 (2)	0.043 (2)	−0.0058 (19)	0.0052 (18)	0.0011 (18)
C31	0.0353 (17)	0.0362 (17)	0.0379 (18)	0.0040 (14)	0.0106 (14)	0.0027 (14)
C32	0.043 (2)	0.047 (2)	0.056 (2)	−0.0005 (16)	0.0125 (17)	−0.0078 (16)
C33	0.040 (2)	0.072 (3)	0.078 (3)	−0.002 (2)	0.021 (2)	−0.011 (2)
C34	0.055 (2)	0.064 (3)	0.067 (3)	0.011 (2)	0.023 (2)	−0.005 (2)
C35	0.069 (3)	0.050 (2)	0.074 (3)	0.006 (2)	0.024 (2)	−0.021 (2)
C36	0.051 (2)	0.047 (2)	0.061 (2)	−0.0039 (17)	0.0188 (19)	−0.0114 (18)
C41	0.0408 (19)	0.0303 (15)	0.0376 (18)	−0.0046 (14)	0.0124 (15)	0.0010 (13)
C42	0.0404 (18)	0.0294 (15)	0.0328 (16)	−0.0026 (13)	0.0098 (14)	−0.0018 (12)
C43	0.047 (2)	0.0432 (18)	0.051 (2)	0.0008 (18)	0.0065 (16)	0.0012 (18)
C44	0.059 (3)	0.055 (2)	0.054 (2)	0.0189 (19)	0.003 (2)	0.0008 (19)
C45	0.082 (3)	0.0309 (17)	0.061 (2)	0.010 (2)	0.008 (2)	0.0009 (17)
C46	0.069 (3)	0.0319 (17)	0.057 (2)	−0.0104 (17)	0.011 (2)	−0.0036 (16)
C47	0.047 (2)	0.0328 (16)	0.0353 (17)	−0.0040 (15)	0.0088 (15)	−0.0005 (13)
C48	0.047 (2)	0.0378 (18)	0.046 (2)	−0.0110 (15)	0.0160 (17)	−0.0024 (15)
C49	0.044 (2)	0.0306 (16)	0.046 (2)	−0.0045 (14)	0.0127 (16)	−0.0032 (14)
C50	0.052 (2)	0.058 (2)	0.051 (2)	0.0045 (18)	0.0161 (19)	−0.0068 (18)
C51	0.073 (3)	0.087 (3)	0.047 (2)	0.013 (2)	0.005 (2)	−0.019 (2)
C52	0.062 (3)	0.085 (3)	0.068 (3)	0.000 (2)	−0.013 (2)	−0.013 (2)
C53	0.044 (2)	0.062 (3)	0.087 (3)	−0.0070 (19)	0.010 (2)	−0.011 (2)
C54	0.049 (2)	0.045 (2)	0.057 (2)	−0.0113 (17)	0.0179 (18)	−0.0102 (17)
C61	0.0361 (18)	0.0297 (15)	0.047 (2)	0.0005 (14)	0.0043 (15)	0.0011 (14)
C62	0.0435 (19)	0.0312 (16)	0.0430 (19)	−0.0061 (14)	0.0067 (15)	−0.0015 (14)
C63	0.042 (2)	0.048 (2)	0.067 (3)	−0.0049 (17)	0.0088 (18)	−0.0019 (18)
C64	0.049 (2)	0.064 (3)	0.093 (3)	−0.018 (2)	0.004 (2)	0.004 (2)
C65	0.079 (3)	0.046 (2)	0.097 (3)	−0.026 (2)	0.000 (3)	−0.001 (2)
C66	0.077 (3)	0.0321 (19)	0.081 (3)	−0.0012 (19)	0.002 (2)	−0.0021 (18)
C67	0.052 (2)	0.0327 (17)	0.052 (2)	−0.0039 (16)	0.0068 (17)	−0.0018 (15)
C68	0.061 (3)	0.0284 (16)	0.074 (3)	0.0061 (17)	0.015 (2)	−0.0065 (18)
C69	0.044 (2)	0.0326 (18)	0.082 (3)	0.0113 (16)	0.008 (2)	0.0037 (18)
C70	0.053 (2)	0.052 (2)	0.078 (3)	0.0071 (19)	−0.004 (2)	0.011 (2)
C71	0.090 (4)	0.070 (3)	0.086 (4)	0.015 (3)	−0.020 (3)	0.020 (3)
C72	0.099 (5)	0.077 (4)	0.125 (5)	0.020 (3)	−0.064 (4)	0.005 (4)
C73	0.054 (3)	0.092 (4)	0.165 (6)	−0.001 (3)	−0.023 (4)	0.017 (4)
C74	0.040 (2)	0.064 (3)	0.118 (4)	0.008 (2)	0.009 (3)	0.007 (3)
N1	0.0556 (19)	0.0507 (18)	0.0485 (18)	−0.0116 (15)	0.0104 (15)	−0.0034 (14)
C1	0.070 (3)	0.055 (2)	0.059 (3)	−0.002 (2)	0.015 (2)	−0.0128 (19)
C2	0.166 (6)	0.112 (4)	0.068 (3)	−0.081 (4)	0.028 (3)	0.001 (3)
C3	0.076 (3)	0.106 (4)	0.071 (3)	−0.028 (3)	−0.006 (2)	−0.011 (3)
C4	0.103 (4)	0.106 (4)	0.108 (4)	0.046 (3)	0.027 (3)	−0.015 (3)

Geometric parameters (Å, º)

Sn1—C11	2.132 (3)	C46—H46	0.9300
Sn1—C21	2.133 (3)	C47—C48	1.502 (4)
Sn1—C31	2.136 (3)	C48—C49	1.493 (5)
Sn1—O61	2.2092 (19)	C49—C50	1.387 (4)
Sn1—O41	2.249 (2)	C49—C54	1.391 (4)
O41—C41	1.276 (3)	C50—C51	1.376 (5)
O42—C41	1.228 (4)	C50—H50	0.9300
O43—C48	1.211 (4)	C51—C52	1.371 (6)
O61—C61	1.290 (4)	C51—H51	0.9300
O62—C61	1.221 (4)	C52—C53	1.372 (5)
O63—C68	1.203 (4)	C52—H52	0.9300
C11—C16	1.381 (4)	C53—C54	1.382 (5)
C11—C12	1.382 (4)	C53—H53	0.9300
C12—C13	1.378 (5)	C54—H54	0.9300
C12—H12	0.9300	C61—C62	1.513 (4)
C13—C14	1.365 (5)	C62—C63	1.384 (4)
C13—H13	0.9300	C62—C67	1.396 (4)
C14—C15	1.376 (5)	C63—C64	1.389 (5)
C14—H14	0.9300	C63—H63	0.9300
C15—C16	1.382 (5)	C64—C65	1.355 (6)
C15—H15	0.9300	C64—H64	0.9300
C16—H16	0.9300	C65—C66	1.362 (5)
C21—C22	1.379 (4)	C65—H65	0.9300
C21—C26	1.387 (4)	C66—C67	1.396 (4)
C22—C23	1.378 (5)	C66—H66	0.9300
C22—H22	0.9300	C67—C68	1.510 (5)
C23—C24	1.380 (6)	C68—C69	1.486 (5)
C23—H23	0.9300	C69—C74	1.375 (5)
C24—C25	1.375 (6)	C69—C70	1.384 (5)
C24—H24	0.9300	C70—C71	1.378 (6)
C25—C26	1.380 (5)	C70—H70	0.9300
C25—H25	0.9300	C71—C72	1.381 (7)
C26—H26	0.9300	C71—H71	0.9300
C31—C32	1.381 (4)	C72—C73	1.383 (8)
C31—C36	1.390 (4)	C72—H72	0.9300
C32—C33	1.384 (5)	C73—C74	1.366 (7)
C32—H32	0.9300	C73—H73	0.9300
C33—C34	1.369 (5)	C74—H74	0.9300
C33—H33	0.9300	N1—C2	1.476 (5)
C34—C35	1.368 (5)	N1—C4	1.478 (5)
C34—H34	0.9300	N1—C3	1.483 (5)
C35—C36	1.384 (5)	N1—C1	1.488 (4)
C35—H35	0.9300	C1—H1A	0.9600
C36—H36	0.9300	C1—H1B	0.9600
C41—C42	1.524 (4)	C1—H1C	0.9600
C42—C43	1.382 (4)	C2—H2A	0.9600
C42—C47	1.396 (4)	C2—H2B	0.9600
C43—C44	1.386 (5)	C2—H2C	0.9600
C43—H43	0.9300	C3—H3A	0.9600
C44—C45	1.375 (5)	C3—H3B	0.9600
C44—H44	0.9300	C3—H3C	0.9600
C45—C46	1.381 (5)	C4—H4A	0.9600
C45—H45	0.9300	C4—H4B	0.9600
C46—C47	1.388 (4)	C4—H4C	0.9600
C11—Sn1—C21	127.64 (12)	C50—C49—C54	118.8 (3)
C11—Sn1—C31	113.45 (12)	C50—C49—C48	122.1 (3)
C21—Sn1—C31	118.86 (12)	C54—C49—C48	119.0 (3)
C11—Sn1—O61	90.99 (10)	C51—C50—C49	120.1 (4)
C21—Sn1—O61	93.31 (10)	C51—C50—H50	120.0
C31—Sn1—O61	87.39 (10)	C49—C50—H50	120.0
C11—Sn1—O41	83.95 (10)	C52—C51—C50	120.7 (4)
C21—Sn1—O41	88.24 (10)	C52—C51—H51	119.6
C31—Sn1—O41	96.43 (10)	C50—C51—H51	119.6
O61—Sn1—O41	174.56 (8)	C51—C52—C53	120.0 (4)
C41—O41—Sn1	133.7 (2)	C51—C52—H52	120.0
C61—O61—Sn1	121.49 (18)	C53—C52—H52	120.0
C16—C11—C12	117.2 (3)	C52—C53—C54	119.9 (4)
C16—C11—Sn1	123.9 (2)	C52—C53—H53	120.0
C12—C11—Sn1	118.5 (2)	C54—C53—H53	120.0
C13—C12—C11	121.5 (3)	C53—C54—C49	120.4 (3)
C13—C12—H12	119.2	C53—C54—H54	119.8
C11—C12—H12	119.2	C49—C54—H54	119.8
C14—C13—C12	120.7 (4)	O62—C61—O61	125.6 (3)
C14—C13—H13	119.7	O62—C61—C62	119.6 (3)
C12—C13—H13	119.7	O61—C61—C62	114.8 (3)
C13—C14—C15	118.8 (4)	C63—C62—C67	118.9 (3)
C13—C14—H14	120.6	C63—C62—C61	117.6 (3)
C15—C14—H14	120.6	C67—C62—C61	123.3 (3)
C14—C15—C16	120.5 (4)	C62—C63—C64	120.5 (4)
C14—C15—H15	119.8	C62—C63—H63	119.7
C16—C15—H15	119.8	C64—C63—H63	119.7
C11—C16—C15	121.3 (3)	C65—C64—C63	120.2 (4)
C11—C16—H16	119.4	C65—C64—H64	119.9
C15—C16—H16	119.4	C63—C64—H64	119.9
C22—C21—C26	117.6 (3)	C64—C65—C66	120.5 (4)
C22—C21—Sn1	123.2 (3)	C64—C65—H65	119.8
C26—C21—Sn1	119.2 (2)	C66—C65—H65	119.8
C23—C22—C21	121.6 (4)	C65—C66—C67	120.8 (4)
C23—C22—H22	119.2	C65—C66—H66	119.6
C21—C22—H22	119.2	C67—C66—H66	119.6
C22—C23—C24	120.1 (4)	C66—C67—C62	119.1 (3)
C22—C23—H23	120.0	C66—C67—C68	117.5 (3)
C24—C23—H23	120.0	C62—C67—C68	123.5 (3)
C25—C24—C23	119.3 (4)	O63—C68—C69	120.7 (4)
C25—C24—H24	120.4	O63—C68—C67	120.3 (4)
C23—C24—H24	120.4	C69—C68—C67	118.7 (3)
C24—C25—C26	120.2 (4)	C74—C69—C70	119.1 (4)
C24—C25—H25	119.9	C74—C69—C68	118.9 (4)
C26—C25—H25	119.9	C70—C69—C68	121.9 (4)
C25—C26—C21	121.3 (4)	C71—C70—C69	121.1 (4)
C25—C26—H26	119.4	C71—C70—H70	119.5
C21—C26—H26	119.4	C69—C70—H70	119.5
C32—C31—C36	117.0 (3)	C70—C71—C72	119.2 (5)
C32—C31—Sn1	122.2 (2)	C70—C71—H71	120.4
C36—C31—Sn1	120.8 (2)	C72—C71—H71	120.4
C31—C32—C33	122.0 (3)	C71—C72—C73	119.4 (5)
C31—C32—H32	119.0	C71—C72—H72	120.3
C33—C32—H32	119.0	C73—C72—H72	120.3
C34—C33—C32	119.6 (4)	C74—C73—C72	121.0 (5)
C34—C33—H33	120.2	C74—C73—H73	119.5
C32—C33—H33	120.2	C72—C73—H73	119.5
C35—C34—C33	120.1 (4)	C73—C74—C69	120.1 (5)
C35—C34—H34	120.0	C73—C74—H74	119.9
C33—C34—H34	120.0	C69—C74—H74	119.9
C34—C35—C36	120.0 (3)	C2—N1—C4	110.4 (4)
C34—C35—H35	120.0	C2—N1—C3	110.2 (3)
C36—C35—H35	120.0	C4—N1—C3	108.9 (3)
C35—C36—C31	121.3 (3)	C2—N1—C1	110.1 (3)
C35—C36—H36	119.3	C4—N1—C1	107.7 (3)
C31—C36—H36	119.3	C3—N1—C1	109.5 (3)
O42—C41—O41	127.0 (3)	N1—C1—H1A	109.5
O42—C41—C42	118.2 (3)	N1—C1—H1B	109.5
O41—C41—C42	114.7 (3)	H1A—C1—H1B	109.5
C43—C42—C47	119.3 (3)	N1—C1—H1C	109.5
C43—C42—C41	120.4 (3)	H1A—C1—H1C	109.5
C47—C42—C41	120.1 (3)	H1B—C1—H1C	109.5
C42—C43—C44	120.8 (3)	N1—C2—H2A	109.5
C42—C43—H43	119.6	N1—C2—H2B	109.5
C44—C43—H43	119.6	H2A—C2—H2B	109.5
C45—C44—C43	119.8 (4)	N1—C2—H2C	109.5
C45—C44—H44	120.1	H2A—C2—H2C	109.5
C43—C44—H44	120.1	H2B—C2—H2C	109.5
C44—C45—C46	120.1 (3)	N1—C3—H3A	109.5
C44—C45—H45	120.0	N1—C3—H3B	109.5
C46—C45—H45	120.0	H3A—C3—H3B	109.5
C45—C46—C47	120.5 (3)	N1—C3—H3C	109.5
C45—C46—H46	119.7	H3A—C3—H3C	109.5
C47—C46—H46	119.7	H3B—C3—H3C	109.5
C46—C47—C42	119.4 (3)	N1—C4—H4A	109.5
C46—C47—C48	118.1 (3)	N1—C4—H4B	109.5
C42—C47—C48	122.2 (3)	H4A—C4—H4B	109.5
O43—C48—C49	121.4 (3)	N1—C4—H4C	109.5
O43—C48—C47	119.5 (3)	H4A—C4—H4C	109.5
C49—C48—C47	119.0 (3)	H4B—C4—H4C	109.5
C11—Sn1—O41—C41	177.5 (3)	O41—C41—C42—C47	−158.4 (3)
C21—Sn1—O41—C41	49.4 (3)	C47—C42—C43—C44	−1.0 (5)
C31—Sn1—O41—C41	−69.5 (3)	C41—C42—C43—C44	174.3 (3)
O61—Sn1—O41—C41	156.0 (7)	C42—C43—C44—C45	−0.2 (5)
C11—Sn1—O61—C61	−61.3 (2)	C43—C44—C45—C46	1.0 (6)
C21—Sn1—O61—C61	66.5 (2)	C44—C45—C46—C47	−0.6 (6)
C31—Sn1—O61—C61	−174.7 (2)	C45—C46—C47—C42	−0.7 (5)
O41—Sn1—O61—C61	−39.9 (9)	C45—C46—C47—C48	173.7 (3)
C21—Sn1—C11—C16	39.3 (3)	C43—C42—C47—C46	1.5 (5)
C31—Sn1—C11—C16	−138.2 (3)	C41—C42—C47—C46	−173.8 (3)
O61—Sn1—C11—C16	134.2 (3)	C43—C42—C47—C48	−172.6 (3)
O41—Sn1—C11—C16	−43.8 (3)	C41—C42—C47—C48	12.1 (4)
C21—Sn1—C11—C12	−147.2 (2)	C46—C47—C48—O43	−106.9 (4)
C31—Sn1—C11—C12	35.3 (3)	C42—C47—C48—O43	67.2 (4)
O61—Sn1—C11—C12	−52.3 (3)	C46—C47—C48—C49	68.8 (4)
O41—Sn1—C11—C12	129.7 (3)	C42—C47—C48—C49	−117.1 (3)
C16—C11—C12—C13	1.0 (5)	O43—C48—C49—C50	−170.4 (3)
Sn1—C11—C12—C13	−172.9 (3)	C47—C48—C49—C50	14.0 (5)
C11—C12—C13—C14	−0.6 (6)	O43—C48—C49—C54	7.0 (5)
C12—C13—C14—C15	−0.7 (6)	C47—C48—C49—C54	−168.6 (3)
C13—C14—C15—C16	1.6 (6)	C54—C49—C50—C51	0.1 (5)
C12—C11—C16—C15	−0.1 (5)	C48—C49—C50—C51	177.5 (3)
Sn1—C11—C16—C15	173.4 (3)	C49—C50—C51—C52	−0.9 (6)
C14—C15—C16—C11	−1.2 (6)	C50—C51—C52—C53	1.0 (7)
C11—Sn1—C21—C22	−52.3 (3)	C51—C52—C53—C54	−0.3 (7)
C31—Sn1—C21—C22	125.1 (3)	C52—C53—C54—C49	−0.6 (6)
O61—Sn1—C21—C22	−146.1 (3)	C50—C49—C54—C53	0.7 (5)
O41—Sn1—C21—C22	28.7 (3)	C48—C49—C54—C53	−176.9 (3)
C11—Sn1—C21—C26	129.5 (3)	Sn1—O61—C61—O62	−15.2 (5)
C31—Sn1—C21—C26	−53.2 (3)	Sn1—O61—C61—C62	163.38 (19)
O61—Sn1—C21—C26	35.7 (3)	O62—C61—C62—C63	24.3 (5)
O41—Sn1—C21—C26	−149.5 (3)	O61—C61—C62—C63	−154.4 (3)
C26—C21—C22—C23	0.0 (6)	O62—C61—C62—C67	−161.0 (3)
Sn1—C21—C22—C23	−178.3 (3)	O61—C61—C62—C67	20.3 (5)
C21—C22—C23—C24	0.3 (7)	C67—C62—C63—C64	0.5 (5)
C22—C23—C24—C25	0.6 (7)	C61—C62—C63—C64	175.5 (3)
C23—C24—C25—C26	−1.9 (7)	C62—C63—C64—C65	−1.1 (6)
C24—C25—C26—C21	2.2 (6)	C63—C64—C65—C66	0.9 (7)
C22—C21—C26—C25	−1.3 (5)	C64—C65—C66—C67	0.0 (7)
Sn1—C21—C26—C25	177.1 (3)	C65—C66—C67—C62	−0.6 (6)
C11—Sn1—C31—C32	119.8 (3)	C65—C66—C67—C68	178.3 (4)
C21—Sn1—C31—C32	−57.9 (3)	C63—C62—C67—C66	0.3 (5)
O61—Sn1—C31—C32	−150.2 (3)	C61—C62—C67—C66	−174.3 (3)
O41—Sn1—C31—C32	33.6 (3)	C63—C62—C67—C68	−178.4 (3)
C11—Sn1—C31—C36	−60.0 (3)	C61—C62—C67—C68	6.9 (5)
C21—Sn1—C31—C36	122.3 (3)	C66—C67—C68—O63	56.5 (5)
O61—Sn1—C31—C36	30.0 (3)	C62—C67—C68—O63	−124.7 (4)
O41—Sn1—C31—C36	−146.2 (3)	C66—C67—C68—C69	−117.0 (4)
C36—C31—C32—C33	−2.0 (5)	C62—C67—C68—C69	61.7 (5)
Sn1—C31—C32—C33	178.2 (3)	O63—C68—C69—C74	23.1 (5)
C31—C32—C33—C34	1.3 (6)	C67—C68—C69—C74	−163.4 (3)
C32—C33—C34—C35	0.4 (6)	O63—C68—C69—C70	−154.1 (4)
C33—C34—C35—C36	−1.3 (6)	C67—C68—C69—C70	19.5 (5)
C34—C35—C36—C31	0.6 (6)	C74—C69—C70—C71	0.0 (6)
C32—C31—C36—C35	1.0 (5)	C68—C69—C70—C71	177.2 (3)
Sn1—C31—C36—C35	−179.2 (3)	C69—C70—C71—C72	0.8 (6)
Sn1—O41—C41—O42	15.1 (5)	C70—C71—C72—C73	−0.7 (8)
Sn1—O41—C41—C42	−161.87 (19)	C71—C72—C73—C74	−0.2 (8)
O42—C41—C42—C43	−150.9 (3)	C72—C73—C74—C69	1.0 (8)
O41—C41—C42—C43	26.4 (4)	C70—C69—C74—C73	−0.9 (6)
O42—C41—C42—C47	24.4 (4)	C68—C69—C74—C73	−178.2 (4)