Tris(2-meth­yl-2-phenyl­prop­yl)(pyridine-3-carboxyl­ato)tin(IV)

The Sn atom of the title compound, [Sn(C₁₀H₁₃)₃(C₆H₄NO₂)], is four-coordinate and possesses a distorted tetra­hedral geometry.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.030
• wR factor = 0.079
• Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT410_ALERT_2_B Short Intra H...H Contact  H7B    ..  H16     ..       1.88 Ang.

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.70 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N1
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C13
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C24
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C25
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C13'
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C18
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc.
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H9A    ..  H12'    ..       1.86 Ang.

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  14 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
  14 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Tris(2-methyl-2-phenylpropyl)(pyridine-3-carboxylato)tin(IV)

Crystal data

[Sn(C10H13)3(C6H4NO2)]	F(000) = 1328
Mr = 640.40	Dx = 1.281 Mg m^−3
Monoclinic, P21/n	Melting point = 348–349 K
Hall symbol: -P 2yn	Mo Kα radiation, λ = 0.71073 Å
a = 12.0660 (5) Å	Cell parameters from 7633 reflections
b = 18.2275 (8) Å	θ = 2.2–28.3°
c = 15.1284 (6) Å	µ = 0.80 mm^−1
β = 93.774 (1)°	T = 295 K
V = 3320.0 (2) Å^3	Block, colourless
Z = 4	0.20 × 0.18 × 0.15 mm

Data collection

Bruker SMART APEX detector diffractometer	7571 independent reflections
Radiation source: fine-focus sealed tube	6225 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.024
φ and ω scans	θmax = 27.5°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −15→15
Tmin = 0.856, Tmax = 0.889	k = −23→23
37665 measured reflections	l = −19→19

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.080	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0439P)^2 + 0.4744P] where P = (Fo^2 + 2Fc^2)/3
7571 reflections	(Δ/σ)max = 0.003
383 parameters	Δρmax = 0.34 e Å^−3
162 restraints	Δρmin = −0.29 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	Occ. (<1)
Sn1	0.787641 (11)	0.847036 (7)	0.754995 (9)	0.05053 (6)
O1	0.89808 (12)	0.92033 (9)	0.70210 (10)	0.0662 (4)
O2	0.99505 (18)	0.92400 (14)	0.83155 (13)	0.1019 (7)
N1	1.2029 (2)	1.08163 (19)	0.7312 (2)	0.1221 (11)
C1	0.9812 (2)	0.94108 (14)	0.75437 (17)	0.0669 (6)
C2	1.06145 (18)	0.99031 (12)	0.71198 (16)	0.0620 (5)
C3	1.0698 (2)	0.99300 (16)	0.62270 (18)	0.0815 (7)
H3	1.0241	0.9639	0.5853	0.098*
C4	1.1452 (3)	1.0384 (2)	0.5886 (2)	0.1047 (10)
H4	1.1527	1.0399	0.5278	0.126*
C5	1.2082 (3)	1.0808 (2)	0.6431 (3)	0.1201 (13)
H5	1.2592	1.1117	0.6184	0.144*
C6	1.1305 (2)	1.03498 (18)	0.7639 (2)	0.0916 (9)
H6	1.1267	1.0326	0.8251	0.110*
C7	0.8908 (2)	0.75451 (14)	0.79053 (16)	0.0752 (7)
H7A	0.9560	0.7724	0.8249	0.090*
H7B	0.8505	0.7233	0.8292	0.090*
C8	0.9305 (2)	0.70653 (14)	0.71524 (17)	0.0700 (6)
C9	1.0049 (3)	0.75288 (18)	0.6593 (3)	0.1139 (12)
H9A	1.0382	0.7221	0.6169	0.171*
H9B	1.0622	0.7755	0.6972	0.171*
H9C	0.9612	0.7902	0.6288	0.171*
C10	1.0009 (3)	0.64325 (19)	0.7580 (3)	0.1194 (13)
H10A	0.9568	0.6159	0.7970	0.179*
H10B	1.0645	0.6632	0.7911	0.179*
H10C	1.0250	0.6114	0.7125	0.179*
C11	0.8332 (2)	0.67291 (13)	0.66043 (18)	0.0731 (7)
C12	0.8173 (7)	0.6643 (5)	0.5707 (4)	0.1013 (17)	0.585 (8)
H12A	0.8711	0.6816	0.5346	0.122*	0.585 (8)
C13	0.7233 (7)	0.6303 (5)	0.5316 (5)	0.128 (3)	0.585 (8)
H13A	0.7136	0.6253	0.4704	0.154*	0.585 (8)
C14	0.6453 (6)	0.6046 (5)	0.5854 (6)	0.118 (3)	0.585 (8)
H14	0.5810	0.5832	0.5597	0.142*	0.585 (8)
C15	0.6587 (6)	0.6093 (5)	0.6764 (5)	0.109 (2)	0.585 (8)
H15	0.6056	0.5898	0.7117	0.131*	0.585 (8)
C16	0.7536 (8)	0.6439 (8)	0.7148 (5)	0.0916 (16)	0.585 (8)
H16	0.7641	0.6478	0.7761	0.110*	0.585 (8)
C12'	0.8430 (9)	0.6835 (7)	0.5701 (5)	0.1013 (17)	0.415 (8)
H12'	0.9044	0.7080	0.5505	0.122*	0.415 (8)
C13'	0.7607 (10)	0.6572 (7)	0.5091 (6)	0.128 (3)	0.415 (8)
H13'	0.7673	0.6643	0.4488	0.154*	0.415 (8)
C14'	0.6699 (9)	0.6210 (7)	0.5378 (8)	0.118 (3)	0.415 (8)
H14'	0.6161	0.6033	0.4964	0.142*	0.415 (8)
C15'	0.6571 (9)	0.6102 (8)	0.6262 (8)	0.109 (2)	0.415 (8)
H15'	0.5955	0.5856	0.6454	0.131*	0.415 (8)
C16'	0.7393 (11)	0.6372 (11)	0.6862 (7)	0.0916 (16)	0.415 (8)
H16'	0.7309	0.6309	0.7464	0.110*	0.415 (8)
C17	0.69022 (19)	0.83465 (13)	0.63242 (15)	0.0651 (6)
H17A	0.7397	0.8415	0.5851	0.078*
H17B	0.6650	0.7841	0.6292	0.078*
C18	0.5885 (2)	0.88352 (14)	0.61158 (16)	0.0687 (6)
C19	0.6246 (3)	0.96447 (16)	0.6202 (2)	0.1094 (11)
H19A	0.5629	0.9956	0.6026	0.164*
H19B	0.6843	0.9735	0.5826	0.164*
H19C	0.6491	0.9747	0.6805	0.164*
C20	0.5439 (3)	0.8691 (2)	0.5155 (2)	0.1112 (11)
H20A	0.5323	0.8174	0.5070	0.167*
H20B	0.5968	0.8863	0.4756	0.167*
H20C	0.4749	0.8946	0.5040	0.167*
C21	0.4952 (2)	0.86498 (15)	0.67090 (17)	0.0695 (6)
C22	0.4568 (2)	0.79432 (17)	0.67694 (18)	0.0858 (8)
H22	0.4921	0.7569	0.6478	0.103*
C23	0.3659 (4)	0.7773 (3)	0.7260 (3)	0.1260 (15)
H23	0.3398	0.7294	0.7287	0.151*
C24	0.3170 (4)	0.8316 (5)	0.7690 (3)	0.165 (3)
H24	0.2554	0.8206	0.8004	0.199*
C25	0.3530 (4)	0.9004 (4)	0.7684 (4)	0.157 (2)
H25	0.3200	0.9363	0.8015	0.188*
C26	0.4401 (3)	0.9177 (2)	0.7178 (3)	0.1125 (12)
H26	0.4629	0.9663	0.7150	0.135*
C27	0.7117 (2)	0.90815 (12)	0.85577 (14)	0.0633 (5)
H27A	0.7452	0.9565	0.8584	0.076*
H27B	0.6339	0.9146	0.8370	0.076*
C28	0.7183 (2)	0.87647 (14)	0.95056 (15)	0.0696 (6)
C29	0.6361 (3)	0.92004 (18)	1.0050 (2)	0.1109 (11)
H29A	0.5621	0.9142	0.9787	0.166*
H29B	0.6558	0.9711	1.0055	0.166*
H29C	0.6396	0.9018	1.0647	0.166*
C30	0.8359 (3)	0.88801 (19)	0.99237 (18)	0.0998 (10)
H30A	0.8390	0.8728	1.0532	0.150*
H30B	0.8552	0.9390	0.9892	0.150*
H30C	0.8874	0.8595	0.9609	0.150*
C31	0.68515 (18)	0.79585 (13)	0.94937 (13)	0.0612 (5)
C32	0.5939 (2)	0.77160 (15)	0.89743 (17)	0.0742 (6)
H32	0.5508	0.8052	0.8641	0.089*
C33	0.5658 (3)	0.69792 (17)	0.8943 (2)	0.0947 (9)
H33	0.5054	0.6825	0.8578	0.114*
C34	0.6255 (3)	0.64809 (16)	0.9440 (2)	0.0941 (9)
H34	0.6060	0.5987	0.9420	0.113*
C35	0.7129 (3)	0.67068 (18)	0.9960 (2)	0.0941 (9)
H35	0.7537	0.6368	1.0306	0.113*
C36	0.7431 (2)	0.74334 (16)	0.99882 (17)	0.0795 (7)
H36	0.8045	0.7575	1.0352	0.095*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.04881 (9)	0.05582 (10)	0.04646 (9)	−0.00128 (5)	−0.00061 (6)	0.00178 (6)
O1	0.0564 (8)	0.0746 (10)	0.0671 (10)	−0.0149 (7)	0.0018 (7)	0.0026 (8)
O2	0.1006 (14)	0.1400 (18)	0.0641 (12)	−0.0361 (13)	−0.0022 (10)	0.0051 (12)
N1	0.0874 (19)	0.130 (3)	0.150 (3)	−0.0480 (17)	0.0152 (19)	−0.031 (2)
C1	0.0606 (13)	0.0769 (15)	0.0632 (15)	−0.0070 (11)	0.0040 (11)	−0.0080 (11)
C2	0.0487 (11)	0.0673 (13)	0.0704 (14)	−0.0037 (9)	0.0061 (10)	−0.0124 (11)
C3	0.0741 (16)	0.0931 (18)	0.0774 (17)	−0.0221 (14)	0.0061 (13)	−0.0083 (14)
C4	0.100 (2)	0.129 (3)	0.088 (2)	−0.032 (2)	0.0293 (18)	0.0007 (19)
C5	0.087 (2)	0.131 (3)	0.146 (4)	−0.042 (2)	0.038 (2)	−0.004 (3)
C6	0.0708 (16)	0.115 (2)	0.090 (2)	−0.0280 (16)	0.0124 (14)	−0.0308 (17)
C7	0.0814 (16)	0.0823 (16)	0.0605 (14)	0.0242 (13)	−0.0049 (12)	0.0067 (12)
C8	0.0608 (13)	0.0737 (15)	0.0768 (16)	0.0167 (11)	0.0137 (12)	0.0077 (12)
C9	0.088 (2)	0.102 (2)	0.159 (3)	−0.0048 (17)	0.064 (2)	−0.010 (2)
C10	0.109 (3)	0.115 (3)	0.131 (3)	0.061 (2)	−0.011 (2)	0.006 (2)
C11	0.0766 (16)	0.0565 (12)	0.0867 (18)	0.0206 (11)	0.0090 (13)	−0.0035 (12)
C12	0.105 (4)	0.100 (4)	0.097 (2)	0.015 (3)	−0.003 (2)	−0.037 (2)
C13	0.128 (5)	0.115 (5)	0.140 (5)	0.000 (4)	0.000 (4)	−0.048 (4)
C14	0.122 (4)	0.094 (4)	0.137 (6)	0.019 (3)	−0.009 (4)	−0.030 (5)
C15	0.107 (3)	0.081 (2)	0.141 (6)	−0.002 (2)	0.008 (4)	−0.003 (5)
C16	0.073 (3)	0.070 (3)	0.132 (4)	−0.0081 (19)	0.002 (3)	−0.004 (4)
C12'	0.105 (4)	0.100 (4)	0.097 (2)	0.015 (3)	−0.003 (2)	−0.037 (2)
C13'	0.128 (5)	0.115 (5)	0.140 (5)	0.000 (4)	0.000 (4)	−0.048 (4)
C14'	0.122 (4)	0.094 (4)	0.137 (6)	0.019 (3)	−0.009 (4)	−0.030 (5)
C15'	0.107 (3)	0.081 (2)	0.141 (6)	−0.002 (2)	0.008 (4)	−0.003 (5)
C16'	0.073 (3)	0.070 (3)	0.132 (4)	−0.0081 (19)	0.002 (3)	−0.004 (4)
C17	0.0580 (13)	0.0796 (15)	0.0562 (13)	0.0030 (11)	−0.0077 (10)	−0.0081 (11)
C18	0.0645 (13)	0.0753 (15)	0.0644 (14)	0.0024 (11)	−0.0100 (11)	0.0183 (12)
C19	0.113 (2)	0.0747 (18)	0.137 (3)	−0.0047 (17)	−0.012 (2)	0.0478 (19)
C20	0.090 (2)	0.178 (3)	0.0631 (18)	−0.007 (2)	−0.0190 (16)	0.034 (2)
C21	0.0569 (13)	0.0811 (16)	0.0679 (15)	0.0095 (11)	−0.0156 (11)	0.0137 (12)
C22	0.0839 (18)	0.105 (2)	0.0655 (16)	−0.0227 (16)	−0.0208 (14)	0.0141 (14)
C23	0.109 (3)	0.180 (4)	0.084 (2)	−0.064 (3)	−0.029 (2)	0.029 (3)
C24	0.075 (3)	0.313 (9)	0.107 (4)	−0.031 (4)	−0.004 (2)	−0.002 (5)
C25	0.083 (3)	0.221 (6)	0.168 (5)	0.042 (3)	0.020 (3)	−0.024 (4)
C26	0.081 (2)	0.124 (3)	0.133 (3)	0.037 (2)	0.007 (2)	0.005 (2)
C27	0.0710 (13)	0.0605 (12)	0.0591 (13)	−0.0019 (11)	0.0107 (10)	−0.0034 (10)
C28	0.0813 (16)	0.0789 (15)	0.0494 (12)	−0.0160 (13)	0.0104 (11)	−0.0090 (11)
C29	0.155 (3)	0.099 (2)	0.085 (2)	−0.015 (2)	0.053 (2)	−0.0293 (17)
C30	0.113 (2)	0.124 (3)	0.0596 (16)	−0.048 (2)	−0.0152 (15)	−0.0048 (16)
C31	0.0618 (12)	0.0832 (15)	0.0389 (10)	−0.0080 (11)	0.0047 (9)	0.0021 (10)
C32	0.0708 (14)	0.0814 (16)	0.0679 (15)	−0.0114 (12)	−0.0141 (12)	0.0164 (12)
C33	0.098 (2)	0.094 (2)	0.089 (2)	−0.0328 (17)	−0.0226 (16)	0.0132 (16)
C34	0.109 (2)	0.0794 (19)	0.093 (2)	−0.0168 (16)	0.0022 (19)	0.0210 (15)
C35	0.096 (2)	0.095 (2)	0.091 (2)	0.0030 (17)	−0.0008 (18)	0.0342 (17)
C36	0.0688 (15)	0.105 (2)	0.0632 (15)	−0.0075 (14)	−0.0083 (12)	0.0159 (14)

Geometric parameters (Å, º)

Sn1—O1	2.0836 (15)	C15'—H15'	0.9300
Sn1—C17	2.141 (2)	C16'—H16'	0.9300
Sn1—C27	2.142 (2)	C17—C18	1.533 (3)
Sn1—C7	2.143 (2)	C17—H17A	0.9700
O1—C1	1.292 (3)	C17—H17B	0.9700
O2—C1	1.209 (3)	C18—C21	1.523 (4)
N1—C6	1.337 (4)	C18—C20	1.538 (4)
N1—C5	1.339 (5)	C18—C19	1.542 (4)
C1—C2	1.495 (3)	C19—H19A	0.9600
C2—C3	1.362 (3)	C19—H19B	0.9600
C2—C6	1.375 (3)	C19—H19C	0.9600
C3—C4	1.357 (4)	C20—H20A	0.9600
C3—H3	0.9300	C20—H20B	0.9600
C4—C5	1.332 (5)	C20—H20C	0.9600
C4—H4	0.9300	C21—C22	1.374 (4)
C5—H5	0.9300	C21—C26	1.389 (4)
C6—H6	0.9300	C22—C23	1.399 (5)
C7—C8	1.537 (3)	C22—H22	0.9300
C7—H7A	0.9700	C23—C24	1.342 (7)
C7—H7B	0.9700	C23—H23	0.9300
C8—C11	1.521 (4)	C24—C25	1.328 (8)
C8—C9	1.528 (4)	C24—H24	0.9300
C8—C10	1.549 (4)	C25—C26	1.376 (6)
C9—H9A	0.9600	C25—H25	0.9300
C9—H9B	0.9600	C26—H26	0.9300
C9—H9C	0.9600	C27—C28	1.543 (3)
C10—H10A	0.9600	C27—H27A	0.9700
C10—H10B	0.9600	C27—H27B	0.9700
C10—H10C	0.9600	C28—C31	1.523 (3)
C11—C12	1.368 (6)	C28—C30	1.530 (4)
C11—C16'	1.386 (7)	C28—C29	1.549 (4)
C11—C12'	1.392 (7)	C29—H29A	0.9600
C11—C16	1.408 (6)	C29—H29B	0.9600
C12—C13	1.389 (7)	C29—H29C	0.9600
C12—H12A	0.9300	C30—H30A	0.9600
C13—C14	1.367 (7)	C30—H30B	0.9600
C13—H13A	0.9300	C30—H30C	0.9600
C14—C15	1.379 (6)	C31—C36	1.377 (3)
C14—H14	0.9300	C31—C32	1.383 (3)
C15—C16	1.401 (6)	C32—C33	1.385 (4)
C15—H15	0.9300	C32—H32	0.9300
C16—H16	0.9300	C33—C34	1.355 (4)
C12'—C13'	1.396 (7)	C33—H33	0.9300
C12'—H12'	0.9300	C34—C35	1.338 (5)
C13'—C14'	1.374 (7)	C34—H34	0.9300
C13'—H13'	0.9300	C35—C36	1.373 (4)
C14'—C15'	1.370 (7)	C35—H35	0.9300
C14'—H14'	0.9300	C36—H36	0.9300
C15'—C16'	1.389 (7)
O1—Sn1—C17	93.64 (8)	C11—C16'—H16'	118.5
O1—Sn1—C27	104.72 (8)	C15'—C16'—H16'	118.5
C17—Sn1—C27	115.80 (9)	C18—C17—Sn1	120.24 (16)
O1—Sn1—C7	103.02 (9)	C18—C17—H17A	107.3
C17—Sn1—C7	114.26 (9)	Sn1—C17—H17A	107.3
C27—Sn1—C7	119.94 (9)	C18—C17—H17B	107.3
C1—O1—Sn1	116.28 (15)	Sn1—C17—H17B	107.3
C6—N1—C5	115.9 (3)	H17A—C17—H17B	106.9
O2—C1—O1	124.6 (2)	C21—C18—C17	111.26 (19)
O2—C1—C2	121.1 (2)	C21—C18—C20	107.0 (2)
O1—C1—C2	114.3 (2)	C17—C18—C20	108.7 (2)
C3—C2—C6	117.7 (2)	C21—C18—C19	112.3 (2)
C3—C2—C1	122.6 (2)	C17—C18—C19	108.7 (2)
C6—C2—C1	119.7 (2)	C20—C18—C19	108.8 (2)
C4—C3—C2	119.6 (3)	C18—C19—H19A	109.5
C4—C3—H3	120.2	C18—C19—H19B	109.5
C2—C3—H3	120.2	H19A—C19—H19B	109.5
C5—C4—C3	119.2 (3)	C18—C19—H19C	109.5
C5—C4—H4	120.4	H19A—C19—H19C	109.5
C3—C4—H4	120.4	H19B—C19—H19C	109.5
C4—C5—N1	124.1 (3)	C18—C20—H20A	109.5
C4—C5—H5	117.9	C18—C20—H20B	109.5
N1—C5—H5	117.9	H20A—C20—H20B	109.5
N1—C6—C2	123.5 (3)	C18—C20—H20C	109.5
N1—C6—H6	118.3	H20A—C20—H20C	109.5
C2—C6—H6	118.3	H20B—C20—H20C	109.5
C8—C7—Sn1	117.77 (16)	C22—C21—C26	116.1 (3)
C8—C7—H7A	107.9	C22—C21—C18	120.8 (3)
Sn1—C7—H7A	107.9	C26—C21—C18	123.0 (3)
C8—C7—H7B	107.9	C21—C22—C23	121.5 (4)
Sn1—C7—H7B	107.9	C21—C22—H22	119.2
H7A—C7—H7B	107.2	C23—C22—H22	119.2
C11—C8—C9	112.4 (2)	C24—C23—C22	118.6 (5)
C11—C8—C7	111.48 (19)	C24—C23—H23	120.7
C9—C8—C7	108.6 (2)	C22—C23—H23	120.7
C11—C8—C10	108.1 (2)	C25—C24—C23	122.6 (5)
C9—C8—C10	108.5 (3)	C25—C24—H24	118.7
C7—C8—C10	107.6 (2)	C23—C24—H24	118.7
C8—C9—H9A	109.5	C24—C25—C26	118.8 (5)
C8—C9—H9B	109.5	C24—C25—H25	120.6
H9A—C9—H9B	109.5	C26—C25—H25	120.6
C8—C9—H9C	109.5	C25—C26—C21	122.3 (4)
H9A—C9—H9C	109.5	C25—C26—H26	118.8
H9B—C9—H9C	109.5	C21—C26—H26	118.8
C8—C10—H10A	109.5	C28—C27—Sn1	117.95 (16)
C8—C10—H10B	109.5	C28—C27—H27A	107.8
H10A—C10—H10B	109.5	Sn1—C27—H27A	107.8
C8—C10—H10C	109.5	C28—C27—H27B	107.8
H10A—C10—H10C	109.5	Sn1—C27—H27B	107.8
H10B—C10—H10C	109.5	H27A—C27—H27B	107.2
C12—C11—C16'	99.3 (5)	C31—C28—C30	111.9 (2)
C16'—C11—C12'	117.7 (5)	C31—C28—C27	110.66 (18)
C12—C11—C16	118.7 (4)	C30—C28—C27	108.8 (2)
C12'—C11—C16	136.9 (5)	C31—C28—C29	108.9 (2)
C12—C11—C8	129.8 (4)	C30—C28—C29	108.6 (2)
C16'—C11—C8	130.7 (5)	C27—C28—C29	107.9 (2)
C12'—C11—C8	111.5 (4)	C28—C29—H29A	109.5
C16—C11—C8	111.3 (3)	C28—C29—H29B	109.5
C11—C12—C13	122.0 (5)	H29A—C29—H29B	109.5
C11—C12—H12A	119.0	C28—C29—H29C	109.5
C13—C12—H12A	119.0	H29A—C29—H29C	109.5
C14—C13—C12	118.3 (6)	H29B—C29—H29C	109.5
C14—C13—H13A	120.8	C28—C30—H30A	109.5
C12—C13—H13A	120.8	C28—C30—H30B	109.5
C13—C14—C15	122.2 (6)	H30A—C30—H30B	109.5
C13—C14—H14	118.9	C28—C30—H30C	109.5
C15—C14—H14	118.9	H30A—C30—H30C	109.5
C14—C15—C16	118.8 (6)	H30B—C30—H30C	109.5
C14—C15—H15	120.6	C36—C31—C32	116.3 (2)
C16—C15—H15	120.6	C36—C31—C28	122.7 (2)
C15—C16—C11	119.8 (5)	C32—C31—C28	120.9 (2)
C15—C16—H16	120.1	C31—C32—C33	120.9 (3)
C11—C16—H16	120.1	C31—C32—H32	119.6
C11—C12'—C13'	120.0 (7)	C33—C32—H32	119.6
C11—C12'—H12'	120.0	C34—C33—C32	120.8 (3)
C13'—C12'—H12'	120.0	C34—C33—H33	119.6
C14'—C13'—C12'	120.2 (7)	C32—C33—H33	119.6
C14'—C13'—H13'	119.9	C35—C34—C33	119.3 (3)
C12'—C13'—H13'	119.9	C35—C34—H34	120.4
C15'—C14'—C13'	121.4 (7)	C33—C34—H34	120.4
C15'—C14'—H14'	119.3	C34—C35—C36	120.8 (3)
C13'—C14'—H14'	119.3	C34—C35—H35	119.6
C14'—C15'—C16'	117.7 (7)	C36—C35—H35	119.6
C14'—C15'—H15'	121.1	C35—C36—C31	122.0 (3)
C16'—C15'—H15'	121.1	C35—C36—H36	119.0
C11—C16'—C15'	123.0 (7)	C31—C36—H36	119.0
C17—Sn1—O1—C1	−175.87 (17)	C8—C11—C12'—C13'	−179.2 (7)
C27—Sn1—O1—C1	66.25 (18)	C11—C12'—C13'—C14'	0.0 (14)
C7—Sn1—O1—C1	−59.94 (18)	C12'—C13'—C14'—C15'	1 (2)
Sn1—O1—C1—O2	−4.1 (3)	C13'—C14'—C15'—C16'	0 (2)
Sn1—O1—C1—C2	176.76 (14)	C12—C11—C16'—C15'	−5 (2)
O2—C1—C2—C3	159.1 (3)	C12'—C11—C16'—C15'	2 (2)
O1—C1—C2—C3	−21.7 (3)	C16—C11—C16'—C15'	174 (6)
O2—C1—C2—C6	−20.7 (4)	C8—C11—C16'—C15'	179.3 (12)
O1—C1—C2—C6	158.5 (2)	C14'—C15'—C16'—C11	−1 (3)
C6—C2—C3—C4	0.5 (4)	O1—Sn1—C17—C18	−92.67 (19)
C1—C2—C3—C4	−179.3 (3)	C27—Sn1—C17—C18	15.6 (2)
C2—C3—C4—C5	−1.4 (5)	C7—Sn1—C17—C18	161.29 (18)
C3—C4—C5—N1	0.3 (7)	Sn1—C17—C18—C21	−69.3 (2)
C6—N1—C5—C4	1.6 (7)	Sn1—C17—C18—C20	173.1 (2)
C5—N1—C6—C2	−2.6 (5)	Sn1—C17—C18—C19	54.8 (3)
C3—C2—C6—N1	1.6 (4)	C17—C18—C21—C22	−53.5 (3)
C1—C2—C6—N1	−178.6 (3)	C20—C18—C21—C22	65.1 (3)
O1—Sn1—C7—C8	−72.2 (2)	C19—C18—C21—C22	−175.6 (2)
C17—Sn1—C7—C8	27.9 (2)	C17—C18—C21—C26	130.1 (3)
C27—Sn1—C7—C8	172.04 (18)	C20—C18—C21—C26	−111.4 (3)
Sn1—C7—C8—C11	−60.5 (3)	C19—C18—C21—C26	8.0 (4)
Sn1—C7—C8—C9	63.9 (3)	C26—C21—C22—C23	1.5 (4)
Sn1—C7—C8—C10	−178.9 (2)	C18—C21—C22—C23	−175.2 (2)
C9—C8—C11—C12	16.4 (6)	C21—C22—C23—C24	−1.2 (5)
C7—C8—C11—C12	138.6 (5)	C22—C23—C24—C25	−1.5 (8)
C10—C8—C11—C12	−103.3 (6)	C23—C24—C25—C26	3.6 (9)
C9—C8—C11—C16'	−169.3 (13)	C24—C25—C26—C21	−3.3 (7)
C7—C8—C11—C16'	−47.1 (13)	C22—C21—C26—C25	0.8 (5)
C10—C8—C11—C16'	71.0 (13)	C18—C21—C26—C25	177.3 (3)
C9—C8—C11—C12'	8.5 (6)	O1—Sn1—C27—C28	−124.41 (17)
C7—C8—C11—C12'	130.7 (6)	C17—Sn1—C27—C28	134.06 (17)
C10—C8—C11—C12'	−111.2 (6)	C7—Sn1—C27—C28	−9.6 (2)
C9—C8—C11—C16	−167.4 (7)	Sn1—C27—C28—C31	−48.2 (2)
C7—C8—C11—C16	−45.2 (7)	Sn1—C27—C28—C30	75.2 (3)
C10—C8—C11—C16	72.9 (7)	Sn1—C27—C28—C29	−167.22 (18)
C16'—C11—C12—C13	2.8 (13)	C30—C28—C31—C36	14.6 (3)
C12'—C11—C12—C13	−159 (3)	C27—C28—C31—C36	136.1 (2)
C16—C11—C12—C13	2.5 (11)	C29—C28—C31—C36	−105.4 (3)
C8—C11—C12—C13	178.4 (5)	C30—C28—C31—C32	−165.3 (2)
C11—C12—C13—C14	−0.5 (11)	C27—C28—C31—C32	−43.7 (3)
C12—C13—C14—C15	−2.0 (13)	C29—C28—C31—C32	74.7 (3)
C13—C14—C15—C16	2.3 (15)	C36—C31—C32—C33	−1.9 (4)
C14—C15—C16—C11	−0.2 (17)	C28—C31—C32—C33	178.0 (3)
C12—C11—C16—C15	−2.1 (15)	C31—C32—C33—C34	1.8 (5)
C16'—C11—C16—C15	−3 (4)	C32—C33—C34—C35	−0.5 (6)
C12'—C11—C16—C15	7 (2)	C33—C34—C35—C36	−0.6 (6)
C8—C11—C16—C15	−178.8 (10)	C34—C35—C36—C31	0.5 (5)
C12—C11—C12'—C13'	19 (2)	C32—C31—C36—C35	0.8 (4)
C16'—C11—C12'—C13'	−1.1 (14)	C28—C31—C36—C35	−179.1 (3)
C16—C11—C12'—C13'	−4.7 (18)