Crystal structure of a mixed-valence μ-oxide Sn12 cluster.

The mixed-valence μ-oxide Sn12 cluster, deca-carbonyl-tetra-μ4-oxido-hexa-μ3-oxido-tetra-kis-[μ-2,2'-(pyridine-2,6-di-yl)bis(1,1-di-phenyl-ethano-lato)]deca-tin(II)ditin(IV)dimolyb-denum(O)(2 Mo-Sn) toluene hepta-solvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent mol-ecules, one of which is disordered about a centre of symmetry. The complex mol-ecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The Sn(II) atoms forming the central Sn10O10 core adopt distorted trigonal-pyramidal, square-pyramidal and octa-hedral coordination geometries provided by the μ-oxide atoms and by the O- and N-donor atoms of two pyridinedi-ethano-late ligands. The terminal Sn(IV) atoms have distorted trigonal-bipyramidal coordination geometries, with a μ4-oxide atom and the N atom of a pyridinedi-ethano-late ligand occupying the axial positions, and the Mo atom of a Mo(CO)5 group and the alk-oxy O atoms of a ligand forming the equatorial plane. In the crystal, weak intra- and inter-molecular C-H⋯O hydrogen bonds are observed.

Related literature

For general background to the chemistry of stannylene complexes with transition metals, see: Baumgartner & Marschner (2014 ▶); Lee & Sekiguchi (2010 ▶). For our previous work on heavy carbene analogs, see: Kireenko et al. (2012 ▶, 2013 ▶); Huang et al. (2012 ▶, 2013 ▶).

Experimental

Crystal data

[Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8

M = 4579.42

Triclinic,

a = 15.8218 (17) Å

b = 15.9933 (17) Å

c = 18.806 (2) Å

α = 94.833 (2)°

β = 95.014 (2)°

γ = 110.605 (2)°

V = 4403.5 (8) Å3

Z = 1

Mo Kα radiation

μ = 1.88 mm−1

T = 173 K

0.25 × 0.10 × 0.08 mm

Data collection

Bruker SMART APEXII diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008 ▶) T min = 0.651, T max = 0.864

32165 measured reflections

15393 independent reflections

12647 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.081

S = 1.02

15393 reflections

939 parameters

13 restraints

H-atom parameters constrained

Δρmax = 1.05 e Å−3

Δρmin = −0.86 e Å−3

Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I. DOI: 10.1107/S1600536814023460/rz5135sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814023460/rz5135Isup2.hkl

Click here for additional data file.

x y z . DOI: 10.1107/S1600536814023460/rz5135fig1.tif

The mol­ecular structure of the title compound, with displacement ellipsoids shown at the 50% probability level. Toluene solvent mol­ecules, hydrogen atoms and labels for carbon atoms are omitted for clarity. Suffix A indicates the symmetry operator 2-x, 2-y, −z.

CCDC reference: 1030879

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8	Z = 1
Mr = 4579.42	F(000) = 2246
Triclinic, P1	Dx = 1.727 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 15.8218 (17) Å	Cell parameters from 9901 reflections
b = 15.9933 (17) Å	θ = 2.4–30.5°
c = 18.806 (2) Å	µ = 1.88 mm−1
α = 94.833 (2)°	T = 173 K
β = 95.014 (2)°	Prism, colourless
γ = 110.605 (2)°	0.25 × 0.10 × 0.08 mm
V = 4403.5 (8) Å3

Bruker SMART APEX II diffractometer	15393 independent reflections
Radiation source: fine-focus sealed tube	12647 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ω scans	θmax = 25.1°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −18→18
Tmin = 0.651, Tmax = 0.864	k = −19→19
32165 measured reflections	l = −22→22

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081	H-atom parameters constrained
S = 1.02	w = 1/[σ2(Fo2) + (0.0327P)2 + 7.0359P] where P = (Fo2 + 2Fc2)/3
15393 reflections	(Δ/σ)max = 0.002
939 parameters	Δρmax = 1.05 e Å−3
13 restraints	Δρmin = −0.86 e Å−3

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.685246 (19)	0.791596 (19)	0.170459 (15)	0.01787 (7)
Sn2	0.966134 (19)	0.911141 (18)	−0.060628 (15)	0.01612 (7)
Sn3	0.810971 (19)	0.952093 (19)	0.039582 (15)	0.01870 (7)
Sn4	0.89930 (2)	1.117309 (19)	−0.097902 (16)	0.01963 (7)
Sn5	0.92982 (2)	0.92791 (2)	0.192584 (15)	0.02104 (8)
Sn6	0.85140 (2)	0.757667 (19)	0.060876 (16)	0.02163 (8)
Mo1	0.53944 (3)	0.70788 (3)	0.06271 (2)	0.02364 (10)
C1	0.4366 (3)	0.6569 (3)	−0.0160 (3)	0.0361 (12)
O1	0.3815 (3)	0.6304 (3)	−0.0648 (2)	0.0605 (12)
C2	0.5399 (3)	0.8310 (3)	0.0395 (2)	0.0317 (11)
O2	0.5359 (3)	0.8959 (3)	0.0220 (2)	0.0490 (10)
C3	0.6197 (3)	0.7062 (3)	−0.0167 (3)	0.0362 (12)
O3	0.6577 (3)	0.7023 (3)	−0.0649 (2)	0.0582 (12)
C4	0.4556 (3)	0.7000 (3)	0.1403 (3)	0.0328 (11)
O4	0.4091 (2)	0.6921 (3)	0.1841 (2)	0.0467 (10)
C5	0.5335 (4)	0.5822 (4)	0.0802 (3)	0.0416 (13)
O5	0.5262 (3)	0.5108 (3)	0.0895 (2)	0.0677 (14)
O6	0.80248 (19)	0.85657 (18)	0.11909 (15)	0.0203 (6)
O7	0.85443 (18)	0.85519 (18)	−0.01250 (15)	0.0187 (6)
O8	1.06470 (19)	0.97324 (18)	0.03098 (14)	0.0181 (6)
O9	1.06823 (18)	0.98435 (18)	−0.11153 (14)	0.0176 (6)
O10	1.03136 (19)	1.15737 (18)	−0.12387 (15)	0.0201 (6)
N1	0.6241 (2)	0.7467 (2)	0.28026 (19)	0.0222 (8)
N2	0.9094 (2)	0.8320 (2)	−0.17287 (18)	0.0201 (8)
O11	0.78447 (19)	0.75398 (18)	0.21973 (16)	0.0228 (7)
O12	0.7178 (2)	0.91510 (19)	0.22391 (17)	0.0280 (7)
O21	0.98747 (19)	0.79539 (18)	−0.04078 (15)	0.0199 (6)
O22	0.87601 (19)	1.01447 (19)	−0.18414 (15)	0.0229 (7)
C11	0.7763 (3)	0.6773 (3)	0.2552 (2)	0.0225 (10)
C12	0.6752 (3)	0.6218 (3)	0.2598 (2)	0.0250 (10)
H12A	0.6411	0.6052	0.2108	0.030*
H12B	0.6707	0.5655	0.2802	0.030*
C13	0.6331 (3)	0.6737 (3)	0.3059 (2)	0.0265 (10)
C14	0.6092 (3)	0.6517 (3)	0.3728 (3)	0.0351 (12)
H14	0.6159	0.6002	0.3905	0.042*
C15	0.5754 (4)	0.7059 (3)	0.4133 (3)	0.0410 (13)
H15	0.5585	0.6917	0.4593	0.049*
C16	0.5662 (3)	0.7810 (3)	0.3871 (3)	0.0362 (12)
H16	0.5430	0.8186	0.4146	0.043*
C17	0.5915 (3)	0.8002 (3)	0.3198 (2)	0.0251 (10)
C18	0.5819 (3)	0.8784 (3)	0.2862 (3)	0.0263 (10)
H18A	0.5509	0.9075	0.3180	0.032*
H18B	0.5415	0.8549	0.2401	0.032*
C19	0.6710 (3)	0.9520 (3)	0.2710 (2)	0.0254 (10)
C21	1.0135 (3)	0.7384 (3)	−0.0902 (2)	0.0215 (9)
C22	1.0447 (3)	0.7887 (3)	−0.1557 (2)	0.0212 (9)
H22A	1.0872	0.8509	−0.1390	0.025*
H22B	1.0769	0.7575	−0.1844	0.025*
C23	0.9628 (3)	0.7907 (3)	−0.2014 (2)	0.0221 (10)
C24	0.9369 (3)	0.7394 (3)	−0.2680 (2)	0.0309 (11)
H24	0.9778	0.7160	−0.2889	0.037*
C25	0.8516 (4)	0.7222 (3)	−0.3041 (3)	0.0405 (13)
H25	0.8322	0.6858	−0.3494	0.049*
C26	0.7956 (4)	0.7591 (3)	−0.2727 (3)	0.0341 (12)
H26	0.7352	0.7448	−0.2951	0.041*
C27	0.8256 (3)	0.8170 (3)	−0.2087 (2)	0.0237 (10)
C28	0.7678 (3)	0.8649 (3)	−0.1809 (2)	0.0250 (10)
H28A	0.7801	0.8762	−0.1278	0.030*
H28B	0.7029	0.8264	−0.1941	0.030*
C29	0.7865 (3)	0.9567 (3)	−0.2120 (2)	0.0232 (10)
C31	0.8220 (3)	0.6238 (3)	0.2112 (2)	0.0241 (10)
C32	0.7752 (3)	0.5447 (3)	0.1656 (2)	0.0295 (11)
H32	0.7111	0.5169	0.1644	0.035*
C33	0.8215 (4)	0.5056 (3)	0.1215 (3)	0.0349 (12)
H33	0.7889	0.4511	0.0909	0.042*
C34	0.9131 (3)	0.5455 (3)	0.1222 (3)	0.0321 (11)
H34	0.9442	0.5194	0.0916	0.039*
C35	0.9610 (3)	0.6241 (3)	0.1675 (3)	0.0316 (11)
H35	1.0251	0.6513	0.1685	0.038*
C36	0.9158 (3)	0.6626 (3)	0.2110 (2)	0.0265 (10)
H36	0.9493	0.7168	0.2416	0.032*
C41	0.8248 (3)	0.7055 (3)	0.3317 (2)	0.0264 (10)
C42	0.8368 (4)	0.6409 (4)	0.3725 (3)	0.0388 (13)
H42	0.8185	0.5800	0.3516	0.047*
C43	0.8758 (4)	0.6661 (4)	0.4443 (3)	0.0536 (16)
H43	0.8831	0.6219	0.4724	0.064*
C44	0.9034 (4)	0.7534 (5)	0.4743 (3)	0.0563 (17)
H44	0.9293	0.7696	0.5232	0.068*
C45	0.8940 (4)	0.8174 (4)	0.4345 (3)	0.0454 (14)
H45	0.9149	0.8784	0.4556	0.054*
C46	0.8541 (3)	0.7944 (3)	0.3634 (3)	0.0330 (12)
H46	0.8468	0.8394	0.3364	0.040*
C51	0.6417 (3)	1.0224 (3)	0.2355 (2)	0.0256 (10)
C52	0.5979 (3)	1.0710 (3)	0.2717 (3)	0.0334 (12)
H52	0.5888	1.0632	0.3204	0.040*
C53	0.5672 (4)	1.1308 (3)	0.2379 (3)	0.0425 (14)
H53	0.5364	1.1628	0.2633	0.051*
C54	0.5811 (4)	1.1440 (4)	0.1688 (3)	0.0441 (14)
H54	0.5611	1.1859	0.1463	0.053*
C55	0.6239 (4)	1.0965 (4)	0.1315 (3)	0.0425 (14)
H55	0.6323	1.1048	0.0829	0.051*
C56	0.6551 (3)	1.0360 (3)	0.1649 (3)	0.0353 (12)
H56	0.6856	1.0041	0.1390	0.042*
C61	0.7361 (3)	0.9971 (3)	0.3403 (3)	0.0275 (11)
C62	0.8294 (3)	1.0312 (3)	0.3361 (3)	0.0423 (14)
H62	0.8510	1.0251	0.2911	0.051*
C63	0.8908 (4)	1.0735 (4)	0.3961 (3)	0.0516 (16)
H63	0.9541	1.0957	0.3921	0.062*
C64	0.8614 (4)	1.0843 (4)	0.4621 (3)	0.0487 (15)
H64	0.9037	1.1133	0.5037	0.058*
C65	0.7697 (4)	1.0521 (4)	0.4663 (3)	0.0448 (14)
H65	0.7483	1.0595	0.5111	0.054*
C66	0.7083 (3)	1.0092 (3)	0.4066 (3)	0.0350 (12)
H66	0.6451	0.9875	0.4111	0.042*
C71	1.0894 (3)	0.7166 (3)	−0.0489 (2)	0.0236 (10)
C72	1.1810 (3)	0.7605 (3)	−0.0534 (3)	0.0314 (11)
H72	1.1988	0.8036	−0.0863	0.038*
C73	1.2470 (3)	0.7426 (4)	−0.0110 (3)	0.0420 (13)
H73	1.3096	0.7737	−0.0144	0.050*
C74	1.2218 (4)	0.6795 (4)	0.0364 (3)	0.0386 (13)
H74	1.2670	0.6666	0.0652	0.046*
C75	1.1315 (3)	0.6355 (3)	0.0416 (3)	0.0345 (12)
H75	1.1141	0.5922	0.0744	0.041*
C76	1.0654 (3)	0.6536 (3)	−0.0005 (2)	0.0296 (11)
H76	1.0029	0.6227	0.0036	0.036*
C81	0.9330 (3)	0.6513 (3)	−0.1195 (2)	0.0213 (9)
C82	0.8440 (3)	0.6405 (3)	−0.1121 (2)	0.0269 (10)
H82	0.8309	0.6863	−0.0849	0.032*
C83	0.7733 (3)	0.5633 (3)	−0.1441 (3)	0.0346 (12)
H83	0.7123	0.5564	−0.1383	0.042*
C84	0.7909 (4)	0.4966 (3)	−0.1842 (3)	0.0398 (13)
H84	0.7424	0.4435	−0.2056	0.048*
C85	0.8793 (3)	0.5079 (3)	−0.1928 (3)	0.0334 (12)
H85	0.8917	0.4627	−0.2214	0.040*
C86	0.9505 (3)	0.5837 (3)	−0.1606 (2)	0.0273 (10)
H86	1.0115	0.5900	−0.1663	0.033*
C91	0.7179 (3)	0.9999 (3)	−0.1916 (2)	0.0238 (10)
C92	0.7089 (3)	1.0682 (3)	−0.2292 (3)	0.0344 (12)
H92	0.7404	1.0825	−0.2699	0.041*
C93	0.6554 (4)	1.1154 (4)	−0.2085 (3)	0.0409 (13)
H93	0.6500	1.1617	−0.2350	0.049*
C94	0.6096 (3)	1.0957 (4)	−0.1494 (3)	0.0391 (13)
H94	0.5734	1.1288	−0.1347	0.047*
C95	0.6164 (3)	1.0282 (3)	−0.1121 (3)	0.0359 (12)
H95	0.5850	1.0145	−0.0713	0.043*
C96	0.6694 (3)	0.9795 (3)	−0.1336 (2)	0.0284 (11)
H96	0.6722	0.9315	−0.1081	0.034*
C101	0.7761 (3)	0.9359 (3)	−0.2946 (2)	0.0252 (10)
C102	0.6914 (3)	0.8866 (3)	−0.3321 (3)	0.0345 (12)
H102	0.6390	0.8720	−0.3075	0.041*
C103	0.6819 (4)	0.8583 (4)	−0.4049 (3)	0.0422 (13)
H103	0.6234	0.8241	−0.4299	0.051*
C104	0.7567 (4)	0.8795 (4)	−0.4409 (3)	0.0483 (15)
H104	0.7503	0.8589	−0.4907	0.058*
C105	0.8416 (4)	0.9311 (4)	−0.4048 (3)	0.0456 (14)
H105	0.8934	0.9473	−0.4300	0.055*
C106	0.8510 (3)	0.9592 (3)	−0.3317 (3)	0.0325 (11)
H106	0.9094	0.9947	−0.3070	0.039*
C111	0.0557 (5)	0.5705 (5)	0.6447 (4)	0.0699 (19)*
C112	0.0782 (5)	0.6529 (5)	0.6126 (4)	0.071 (2)*
H112	0.0447	0.6568	0.5694	0.085*
C113	0.1486 (5)	0.7240 (5)	0.6465 (4)	0.0655 (18)*
H113	0.1663	0.7781	0.6248	0.079*
C114	0.1964 (5)	0.7230 (5)	0.7109 (4)	0.077 (2)*
H114	0.2440	0.7759	0.7338	0.092*
C115	0.1749 (5)	0.6470 (5)	0.7404 (4)	0.075 (2)*
H115	0.2078	0.6452	0.7847	0.090*
C116	0.1042 (4)	0.5694 (4)	0.7067 (3)	0.0581 (17)*
H116	0.0903	0.5151	0.7280	0.070*
C117	−0.0207 (7)	0.4918 (7)	0.6110 (5)	0.124 (4)*
H11C	−0.0617	0.4679	0.6467	0.186*
H11B	0.0017	0.4456	0.5920	0.186*
H11A	−0.0538	0.5086	0.5716	0.186*
C121	0.1876 (6)	0.7334 (7)	0.3756 (5)	0.1144 (13)*
C122	0.1926 (6)	0.7164 (6)	0.4470 (5)	0.1144 (13)*
H122	0.1552	0.7329	0.4780	0.137*
C123	0.2512 (6)	0.6758 (6)	0.4737 (5)	0.1144 (13)*
H123	0.2535	0.6653	0.5226	0.137*
C124	0.3073 (7)	0.6499 (6)	0.4294 (5)	0.1144 (13)*
H124	0.3483	0.6227	0.4467	0.137*
C125	0.2983 (7)	0.6672 (6)	0.3586 (5)	0.1144 (13)*
H125	0.3354	0.6509	0.3274	0.137*
C126	0.2399 (6)	0.7061 (6)	0.3296 (5)	0.1144 (13)*
H126	0.2356	0.7140	0.2801	0.137*
C127	0.1240 (6)	0.7751 (6)	0.3491 (5)	0.1144 (13)*
H12C	0.1172	0.7685	0.2964	0.172*
H12D	0.1476	0.8392	0.3678	0.172*
H12E	0.0647	0.7456	0.3654	0.172*
C131	0.4604 (7)	0.4059 (7)	0.3531 (5)	0.1180 (13)*
C132	0.4439 (7)	0.4062 (7)	0.2790 (5)	0.1180 (13)*
H132	0.3966	0.4237	0.2586	0.142*
C133	0.4999 (6)	0.3798 (7)	0.2365 (5)	0.1180 (13)*
H133	0.4852	0.3717	0.1858	0.142*
C134	0.5760 (6)	0.3647 (7)	0.2649 (5)	0.1180 (13)*
H134	0.6151	0.3504	0.2345	0.142*
C135	0.5938 (7)	0.3710 (7)	0.3392 (5)	0.1180 (13)*
H135	0.6462	0.3616	0.3599	0.142*
C136	0.5357 (6)	0.3908 (7)	0.3837 (5)	0.1180 (13)*
H136	0.5477	0.3939	0.4345	0.142*
C137	0.4025 (7)	0.4285 (7)	0.4018 (5)	0.1180 (13)*
H13A	0.4404	0.4667	0.4448	0.177*
H13B	0.3597	0.3732	0.4159	0.177*
H13C	0.3685	0.4609	0.3775	0.177*
C141	0.5280 (4)	0.0816 (4)	0.4727 (3)	0.0522 (15)*
H141	0.5474	0.1377	0.4539	0.063*	0.50
C142	0.5665 (4)	0.0736 (4)	0.5390 (3)	0.0549 (16)*
H142	0.6124	0.1247	0.5662	0.066*
C143	0.5395 (4)	−0.0071 (4)	0.5663 (3)	0.0556 (16)*
H143	0.5671	−0.0120	0.6119	0.067*
C147	0.4373 (9)	−0.1710 (9)	0.5552 (7)	0.064 (4)*	0.50
H14A	0.4419	−0.2176	0.5201	0.096*	0.50
H14B	0.3735	−0.1854	0.5630	0.096*	0.50
H14C	0.4737	−0.1684	0.6008	0.096*	0.50

	U11	U22	U33	U12	U13	U23
Sn1	0.01573 (15)	0.01795 (15)	0.01960 (15)	0.00602 (12)	0.00312 (12)	−0.00007 (11)
Sn2	0.01583 (15)	0.01599 (15)	0.01729 (15)	0.00685 (12)	0.00359 (11)	−0.00015 (11)
Sn3	0.01641 (15)	0.02035 (16)	0.02130 (16)	0.00919 (12)	0.00340 (12)	0.00085 (12)
Sn4	0.01893 (16)	0.02015 (16)	0.02271 (16)	0.01062 (13)	0.00291 (12)	0.00232 (12)
Sn5	0.02239 (16)	0.02407 (16)	0.01741 (15)	0.00931 (13)	0.00342 (12)	0.00168 (12)
Sn6	0.02153 (16)	0.01691 (15)	0.02576 (17)	0.00640 (13)	0.00212 (13)	0.00224 (12)
Mo1	0.0186 (2)	0.0253 (2)	0.0252 (2)	0.00811 (17)	−0.00110 (16)	−0.00314 (16)
C1	0.023 (3)	0.043 (3)	0.041 (3)	0.015 (2)	−0.003 (2)	−0.009 (2)
O1	0.040 (2)	0.078 (3)	0.056 (3)	0.026 (2)	−0.021 (2)	−0.025 (2)
C2	0.033 (3)	0.039 (3)	0.022 (3)	0.014 (2)	0.001 (2)	−0.001 (2)
O2	0.062 (3)	0.043 (2)	0.050 (2)	0.027 (2)	0.004 (2)	0.0147 (19)
C3	0.022 (3)	0.044 (3)	0.036 (3)	0.008 (2)	−0.005 (2)	−0.005 (2)
O3	0.037 (2)	0.091 (3)	0.040 (2)	0.018 (2)	0.0116 (19)	−0.009 (2)
C4	0.023 (3)	0.033 (3)	0.038 (3)	0.006 (2)	0.000 (2)	0.001 (2)
O4	0.033 (2)	0.055 (2)	0.046 (2)	0.0068 (18)	0.0154 (19)	0.0027 (19)
C5	0.048 (3)	0.035 (3)	0.034 (3)	0.011 (3)	−0.009 (3)	−0.008 (2)
O5	0.106 (4)	0.033 (2)	0.060 (3)	0.029 (2)	−0.019 (3)	−0.006 (2)
O6	0.0181 (15)	0.0214 (16)	0.0218 (16)	0.0060 (13)	0.0087 (12)	0.0031 (12)
O7	0.0181 (15)	0.0187 (15)	0.0211 (15)	0.0082 (12)	0.0064 (12)	0.0014 (12)
O8	0.0194 (15)	0.0173 (15)	0.0184 (15)	0.0080 (12)	0.0019 (12)	0.0009 (12)
O9	0.0177 (15)	0.0169 (15)	0.0178 (15)	0.0051 (12)	0.0055 (12)	0.0020 (12)
O10	0.0194 (16)	0.0187 (15)	0.0210 (16)	0.0059 (13)	0.0029 (12)	−0.0001 (12)
N1	0.0158 (19)	0.024 (2)	0.025 (2)	0.0040 (16)	0.0032 (15)	0.0012 (16)
N2	0.0210 (19)	0.0175 (18)	0.0220 (19)	0.0076 (16)	0.0030 (16)	0.0003 (15)
O11	0.0173 (15)	0.0195 (16)	0.0326 (18)	0.0072 (13)	0.0029 (13)	0.0069 (13)
O12	0.0273 (18)	0.0206 (16)	0.0364 (19)	0.0085 (14)	0.0134 (15)	−0.0036 (14)
O21	0.0242 (16)	0.0193 (15)	0.0204 (15)	0.0131 (13)	0.0037 (13)	0.0008 (12)
O22	0.0189 (16)	0.0283 (17)	0.0227 (16)	0.0114 (13)	0.0021 (13)	−0.0027 (13)
C11	0.023 (2)	0.019 (2)	0.024 (2)	0.0067 (19)	0.0014 (19)	0.0026 (18)
C12	0.028 (3)	0.021 (2)	0.027 (2)	0.009 (2)	0.003 (2)	0.0020 (19)
C13	0.023 (2)	0.026 (3)	0.029 (3)	0.007 (2)	0.003 (2)	0.004 (2)
C14	0.038 (3)	0.034 (3)	0.035 (3)	0.011 (2)	0.014 (2)	0.012 (2)
C15	0.050 (3)	0.042 (3)	0.033 (3)	0.014 (3)	0.021 (3)	0.012 (2)
C16	0.040 (3)	0.034 (3)	0.034 (3)	0.010 (2)	0.021 (2)	0.002 (2)
C17	0.017 (2)	0.026 (2)	0.030 (3)	0.0048 (19)	0.0077 (19)	0.002 (2)
C18	0.021 (2)	0.031 (3)	0.030 (3)	0.013 (2)	0.007 (2)	−0.001 (2)
C19	0.023 (2)	0.022 (2)	0.032 (3)	0.009 (2)	0.007 (2)	−0.0019 (19)
C21	0.022 (2)	0.019 (2)	0.026 (2)	0.0110 (19)	0.0062 (19)	0.0021 (18)
C22	0.020 (2)	0.020 (2)	0.025 (2)	0.0099 (19)	0.0044 (19)	−0.0012 (18)
C23	0.025 (2)	0.022 (2)	0.023 (2)	0.0102 (19)	0.0077 (19)	0.0064 (18)
C24	0.038 (3)	0.032 (3)	0.027 (3)	0.018 (2)	0.007 (2)	−0.001 (2)
C25	0.055 (4)	0.043 (3)	0.027 (3)	0.028 (3)	−0.008 (3)	−0.009 (2)
C26	0.039 (3)	0.030 (3)	0.032 (3)	0.017 (2)	−0.012 (2)	−0.007 (2)
C27	0.026 (2)	0.022 (2)	0.024 (2)	0.010 (2)	−0.0004 (19)	0.0044 (19)
C28	0.024 (2)	0.027 (2)	0.024 (2)	0.012 (2)	−0.0030 (19)	0.0007 (19)
C29	0.023 (2)	0.025 (2)	0.022 (2)	0.010 (2)	−0.0006 (19)	0.0018 (18)
C31	0.028 (3)	0.023 (2)	0.025 (2)	0.014 (2)	0.003 (2)	0.0044 (19)
C32	0.026 (3)	0.032 (3)	0.032 (3)	0.013 (2)	0.003 (2)	0.000 (2)
C33	0.041 (3)	0.027 (3)	0.036 (3)	0.013 (2)	0.005 (2)	0.000 (2)
C34	0.043 (3)	0.028 (3)	0.034 (3)	0.023 (2)	0.013 (2)	0.005 (2)
C35	0.028 (3)	0.031 (3)	0.041 (3)	0.015 (2)	0.008 (2)	0.008 (2)
C36	0.028 (3)	0.024 (2)	0.028 (3)	0.010 (2)	0.006 (2)	0.0014 (19)
C41	0.022 (2)	0.033 (3)	0.024 (2)	0.011 (2)	0.0034 (19)	−0.002 (2)
C42	0.047 (3)	0.041 (3)	0.031 (3)	0.022 (3)	−0.002 (2)	0.002 (2)
C43	0.059 (4)	0.068 (4)	0.036 (3)	0.027 (3)	−0.004 (3)	0.013 (3)
C44	0.050 (4)	0.077 (5)	0.025 (3)	0.008 (3)	−0.004 (3)	−0.006 (3)
C45	0.037 (3)	0.050 (4)	0.038 (3)	0.004 (3)	0.010 (3)	−0.011 (3)
C46	0.029 (3)	0.036 (3)	0.030 (3)	0.007 (2)	0.008 (2)	−0.003 (2)
C51	0.021 (2)	0.022 (2)	0.032 (3)	0.0054 (19)	0.005 (2)	0.0018 (19)
C52	0.037 (3)	0.031 (3)	0.037 (3)	0.016 (2)	0.012 (2)	0.003 (2)
C53	0.044 (3)	0.034 (3)	0.060 (4)	0.024 (3)	0.016 (3)	0.005 (3)
C54	0.041 (3)	0.036 (3)	0.058 (4)	0.015 (3)	0.003 (3)	0.018 (3)
C55	0.042 (3)	0.042 (3)	0.039 (3)	0.007 (3)	0.011 (3)	0.012 (3)
C56	0.034 (3)	0.031 (3)	0.040 (3)	0.009 (2)	0.010 (2)	0.003 (2)
C61	0.024 (2)	0.019 (2)	0.040 (3)	0.010 (2)	0.005 (2)	0.000 (2)
C62	0.027 (3)	0.040 (3)	0.054 (4)	0.010 (2)	0.009 (3)	−0.018 (3)
C63	0.022 (3)	0.048 (4)	0.075 (4)	0.012 (3)	−0.009 (3)	−0.021 (3)
C64	0.044 (4)	0.045 (3)	0.048 (4)	0.012 (3)	−0.012 (3)	−0.011 (3)
C65	0.048 (4)	0.047 (3)	0.033 (3)	0.012 (3)	−0.001 (3)	0.000 (2)
C66	0.031 (3)	0.037 (3)	0.034 (3)	0.009 (2)	0.006 (2)	−0.002 (2)
C71	0.029 (3)	0.019 (2)	0.026 (2)	0.014 (2)	0.001 (2)	−0.0062 (18)
C72	0.029 (3)	0.027 (3)	0.041 (3)	0.013 (2)	0.003 (2)	0.005 (2)
C73	0.023 (3)	0.046 (3)	0.059 (4)	0.014 (2)	0.002 (3)	0.008 (3)
C74	0.036 (3)	0.045 (3)	0.040 (3)	0.023 (3)	−0.003 (2)	0.002 (2)
C75	0.040 (3)	0.039 (3)	0.031 (3)	0.021 (3)	0.005 (2)	0.009 (2)
C76	0.030 (3)	0.033 (3)	0.030 (3)	0.016 (2)	0.004 (2)	0.003 (2)
C81	0.024 (2)	0.023 (2)	0.020 (2)	0.0107 (19)	0.0042 (19)	0.0060 (18)
C82	0.026 (3)	0.026 (2)	0.028 (3)	0.009 (2)	0.005 (2)	0.000 (2)
C83	0.025 (3)	0.035 (3)	0.039 (3)	0.005 (2)	0.006 (2)	−0.001 (2)
C84	0.035 (3)	0.028 (3)	0.043 (3)	−0.001 (2)	0.002 (2)	−0.005 (2)
C85	0.037 (3)	0.025 (3)	0.036 (3)	0.011 (2)	0.002 (2)	−0.002 (2)
C86	0.029 (3)	0.025 (2)	0.028 (3)	0.010 (2)	0.003 (2)	0.003 (2)
C91	0.015 (2)	0.028 (2)	0.026 (2)	0.0090 (19)	−0.0061 (19)	−0.0020 (19)
C92	0.038 (3)	0.039 (3)	0.033 (3)	0.022 (2)	0.009 (2)	0.008 (2)
C93	0.046 (3)	0.044 (3)	0.047 (3)	0.033 (3)	0.008 (3)	0.016 (3)
C94	0.034 (3)	0.046 (3)	0.048 (3)	0.027 (3)	0.011 (3)	0.003 (3)
C95	0.030 (3)	0.043 (3)	0.036 (3)	0.014 (2)	0.008 (2)	0.004 (2)
C96	0.024 (2)	0.032 (3)	0.031 (3)	0.012 (2)	0.002 (2)	0.004 (2)
C101	0.030 (3)	0.030 (3)	0.019 (2)	0.017 (2)	−0.003 (2)	0.0015 (19)
C102	0.031 (3)	0.041 (3)	0.032 (3)	0.017 (2)	−0.005 (2)	−0.003 (2)
C103	0.037 (3)	0.054 (4)	0.033 (3)	0.021 (3)	−0.013 (2)	−0.009 (3)
C104	0.059 (4)	0.068 (4)	0.020 (3)	0.030 (3)	−0.003 (3)	−0.005 (3)
C105	0.044 (3)	0.065 (4)	0.026 (3)	0.018 (3)	0.006 (2)	0.001 (3)
C106	0.033 (3)	0.035 (3)	0.028 (3)	0.011 (2)	0.001 (2)	−0.001 (2)

Sn1—O12	2.009 (3)	C54—C55	1.371 (8)
Sn1—O11	2.047 (3)	C54—H54	0.9500
Sn1—O6	2.140 (3)	C55—C56	1.400 (7)
Sn1—N1	2.414 (3)	C55—H55	0.9500
Sn1—Mo1	2.7879 (5)	C56—H56	0.9500
Sn2—O9	2.006 (3)	C61—C66	1.379 (7)
Sn2—O7	2.012 (3)	C61—C62	1.395 (7)
Sn2—O21	2.053 (3)	C62—C63	1.375 (7)
Sn2—O8i	2.116 (3)	C62—H62	0.9500
Sn2—O8	2.130 (3)	C63—C64	1.382 (8)
Sn2—N2	2.298 (3)	C63—H63	0.9500
Sn2—Sn2i	3.2809 (6)	C64—C65	1.369 (8)
Sn3—O7	2.109 (3)	C64—H64	0.9500
Sn3—O9i	2.113 (3)	C65—C66	1.373 (7)
Sn3—O6	2.205 (3)	C65—H65	0.9500
Sn3—O8i	2.475 (3)	C66—H66	0.9500
Sn4—O10	2.075 (3)	C71—C72	1.384 (6)
Sn4—O22	2.119 (3)	C71—C76	1.390 (6)
Sn4—O8i	2.184 (3)	C72—C73	1.383 (7)
Sn5—O10i	2.083 (3)	C72—H72	0.9500
Sn5—O9i	2.152 (3)	C73—C74	1.378 (7)
Sn5—O6	2.214 (3)	C73—H73	0.9500
Sn6—O10i	2.064 (3)	C74—C75	1.370 (7)
Sn6—O7	2.159 (3)	C74—H74	0.9500
Sn6—O6	2.240 (3)	C75—C76	1.383 (7)
Mo1—C1	1.986 (5)	C75—H75	0.9500
Mo1—C5	2.035 (6)	C76—H76	0.9500
Mo1—C4	2.040 (5)	C81—C82	1.378 (6)
Mo1—C3	2.047 (5)	C81—C86	1.397 (6)
Mo1—C2	2.050 (5)	C82—C83	1.386 (6)
C1—O1	1.147 (6)	C82—H82	0.9500
C2—O2	1.136 (6)	C83—C84	1.376 (7)
C3—O3	1.141 (6)	C83—H83	0.9500
C4—O4	1.137 (6)	C84—C85	1.373 (7)
C5—O5	1.136 (6)	C84—H84	0.9500
O8—Sn2i	2.116 (3)	C85—C86	1.380 (6)
O8—Sn4i	2.184 (3)	C85—H85	0.9500
O8—Sn3i	2.475 (3)	C86—H86	0.9500
O9—Sn3i	2.113 (3)	C91—C96	1.385 (6)
O9—Sn5i	2.152 (3)	C91—C92	1.389 (6)
O10—Sn6i	2.064 (3)	C92—C93	1.378 (7)
O10—Sn5i	2.083 (3)	C92—H92	0.9500
N1—C13	1.347 (6)	C93—C94	1.378 (7)
N1—C17	1.351 (6)	C93—H93	0.9500
N2—C23	1.361 (5)	C94—C95	1.365 (7)
N2—C27	1.364 (5)	C94—H94	0.9500
O11—C11	1.416 (5)	C95—C96	1.392 (7)
O12—C19	1.420 (5)	C95—H95	0.9500
O21—C21	1.433 (5)	C96—H96	0.9500
O22—C29	1.415 (5)	C101—C106	1.382 (7)
C11—C41	1.522 (6)	C101—C102	1.383 (6)
C11—C31	1.536 (6)	C102—C103	1.383 (7)
C11—C12	1.547 (6)	C102—H102	0.9500
C12—C13	1.501 (6)	C103—C104	1.368 (8)
C12—H12A	0.9900	C103—H103	0.9500
C12—H12B	0.9900	C104—C105	1.383 (8)
C13—C14	1.383 (6)	C104—H104	0.9500
C14—C15	1.380 (7)	C105—C106	1.388 (7)
C14—H14	0.9500	C105—H105	0.9500
C15—C16	1.384 (7)	C106—H106	0.9500
C15—H15	0.9500	C111—C116	1.344 (9)
C16—C17	1.386 (6)	C111—C112	1.438 (9)
C16—H16	0.9500	C111—C117	1.453 (11)
C17—C18	1.496 (6)	C112—C113	1.343 (9)
C18—C19	1.553 (6)	C112—H112	0.9500
C18—H18A	0.9900	C113—C114	1.374 (9)
C18—H18B	0.9900	C113—H113	0.9500
C19—C61	1.537 (6)	C114—C115	1.326 (10)
C19—C51	1.539 (6)	C114—H114	0.9500
C21—C71	1.532 (6)	C115—C116	1.400 (9)
C21—C81	1.538 (6)	C115—H115	0.9500
C21—C22	1.549 (6)	C116—H116	0.9500
C22—C23	1.503 (6)	C117—H11C	0.9800
C22—H22A	0.9900	C117—H11B	0.9800
C22—H22B	0.9900	C117—H11A	0.9800
C23—C24	1.383 (6)	C121—C122	1.392 (5)
C24—C25	1.381 (7)	C121—C126	1.393 (5)
C24—H24	0.9500	C121—C127	1.466 (5)
C25—C26	1.371 (7)	C122—C123	1.391 (5)
C25—H25	0.9500	C122—H122	0.9500
C26—C27	1.392 (6)	C123—C124	1.407 (5)
C26—H26	0.9500	C123—H123	0.9500
C27—C28	1.486 (6)	C124—C125	1.388 (5)
C28—C29	1.567 (6)	C124—H124	0.9500
C28—H28A	0.9900	C125—C126	1.383 (5)
C28—H28B	0.9900	C125—H125	0.9500
C29—C91	1.536 (6)	C126—H126	0.9500
C29—C101	1.542 (6)	C127—H12C	0.9800
C31—C32	1.390 (6)	C127—H12D	0.9800
C31—C36	1.394 (6)	C127—H12E	0.9800
C32—C33	1.399 (7)	C131—C136	1.384 (5)
C32—H32	0.9500	C131—C132	1.395 (5)
C33—C34	1.361 (7)	C131—C137	1.462 (12)
C33—H33	0.9500	C132—C133	1.390 (5)
C34—C35	1.384 (7)	C132—H132	0.9500
C34—H34	0.9500	C133—C134	1.380 (5)
C35—C36	1.373 (6)	C133—H133	0.9500
C35—H35	0.9500	C134—C135	1.388 (5)
C36—H36	0.9500	C134—H134	0.9500
C41—C46	1.391 (6)	C135—C136	1.393 (5)
C41—C42	1.392 (7)	C135—H135	0.9500
C42—C43	1.399 (7)	C136—H136	0.9500
C42—H42	0.9500	C137—H13A	0.9800
C43—C44	1.361 (8)	C137—H13B	0.9800
C43—H43	0.9500	C137—H13C	0.9800
C44—C45	1.358 (8)	C141—C142	1.375 (8)
C44—H44	0.9500	C141—C143ii	1.386 (8)
C45—C46	1.388 (7)	C141—H141	0.9500
C45—H45	0.9500	C142—C143	1.369 (8)
C46—H46	0.9500	C142—H142	0.9500
C51—C56	1.385 (6)	C143—C141ii	1.386 (8)
C51—C52	1.386 (6)	C143—H143	0.9500
C52—C53	1.391 (7)	C147—C141ii	1.498 (13)
C52—H52	0.9500	C147—H14A	0.9800
C53—C54	1.359 (8)	C147—H14B	0.9800
C53—H53	0.9500	C147—H14C	0.9800
O12—Sn1—O11	99.97 (12)	C45—C44—H44	119.8
O12—Sn1—O6	83.14 (11)	C43—C44—H44	119.8
O11—Sn1—O6	75.96 (11)	C44—C45—C46	120.5 (5)
O12—Sn1—N1	82.07 (12)	C44—C45—H45	119.8
O11—Sn1—N1	78.62 (12)	C46—C45—H45	119.8
O6—Sn1—N1	147.76 (11)	C45—C46—C41	120.3 (5)
O12—Sn1—Mo1	125.85 (9)	C45—C46—H46	119.8
O11—Sn1—Mo1	134.16 (8)	C41—C46—H46	119.8
O6—Sn1—Mo1	107.49 (8)	C56—C51—C52	118.2 (4)
N1—Sn1—Mo1	104.41 (8)	C56—C51—C19	120.5 (4)
O9—Sn2—O7	169.60 (11)	C52—C51—C19	121.3 (4)
O9—Sn2—O21	108.06 (11)	C51—C52—C53	120.9 (5)
O7—Sn2—O21	82.30 (11)	C51—C52—H52	119.6
O9—Sn2—O8i	90.44 (11)	C53—C52—H52	119.6
O7—Sn2—O8i	80.06 (11)	C54—C53—C52	120.4 (5)
O21—Sn2—O8i	153.54 (11)	C54—C53—H53	119.8
O9—Sn2—O8	81.62 (11)	C52—C53—H53	119.8
O7—Sn2—O8	100.48 (11)	C53—C54—C55	119.9 (5)
O21—Sn2—O8	85.22 (11)	C53—C54—H54	120.1
O8i—Sn2—O8	78.81 (11)	C55—C54—H54	120.1
O9—Sn2—N2	83.69 (11)	C54—C55—C56	120.3 (5)
O7—Sn2—N2	97.19 (12)	C54—C55—H55	119.8
O21—Sn2—N2	82.47 (11)	C56—C55—H55	119.8
O8i—Sn2—N2	119.15 (11)	C51—C56—C55	120.3 (5)
O8—Sn2—N2	156.87 (11)	C51—C56—H56	119.9
O9—Sn2—Sn2i	84.85 (8)	C55—C56—H56	119.9
O7—Sn2—Sn2i	90.39 (8)	C66—C61—C62	117.2 (5)
O21—Sn2—Sn2i	121.55 (8)	C66—C61—C19	124.3 (4)
O8i—Sn2—Sn2i	39.57 (7)	C62—C61—C19	118.5 (4)
O8—Sn2—Sn2i	39.25 (7)	C63—C62—C61	121.1 (5)
N2—Sn2—Sn2i	155.68 (8)	C63—C62—H62	119.5
O7—Sn3—O9i	95.76 (11)	C61—C62—H62	119.5
O7—Sn3—O6	76.64 (10)	C62—C63—C64	120.8 (5)
O9i—Sn3—O6	76.33 (10)	C62—C63—H63	119.6
O7—Sn3—O8i	70.30 (10)	C64—C63—H63	119.6
O9i—Sn3—O8i	71.76 (10)	C65—C64—C63	118.3 (5)
O6—Sn3—O8i	130.61 (10)	C65—C64—H64	120.8
O10—Sn4—O22	82.66 (11)	C63—C64—H64	120.8
O10—Sn4—O8i	86.82 (11)	C64—C65—C66	121.1 (5)
O22—Sn4—O8i	85.41 (11)	C64—C65—H65	119.5
O10i—Sn5—O9i	91.93 (11)	C66—C65—H65	119.5
O10i—Sn5—O6	78.14 (11)	C65—C66—C61	121.6 (5)
O9i—Sn5—O6	75.37 (10)	C65—C66—H66	119.2
O10i—Sn6—O7	93.17 (11)	C61—C66—H66	119.2
O10i—Sn6—O6	77.92 (11)	C72—C71—C76	118.1 (4)
O7—Sn6—O6	74.91 (10)	C72—C71—C21	123.5 (4)
C1—Mo1—C5	90.9 (2)	C76—C71—C21	118.2 (4)
C1—Mo1—C4	93.3 (2)	C73—C72—C71	121.1 (5)
C5—Mo1—C4	87.0 (2)	C73—C72—H72	119.5
C1—Mo1—C3	84.9 (2)	C71—C72—H72	119.5
C5—Mo1—C3	89.5 (2)	C74—C73—C72	119.9 (5)
C4—Mo1—C3	176.0 (2)	C74—C73—H73	120.0
C1—Mo1—C2	85.6 (2)	C72—C73—H73	120.0
C5—Mo1—C2	176.5 (2)	C75—C74—C73	119.8 (5)
C4—Mo1—C2	93.7 (2)	C75—C74—H74	120.1
C3—Mo1—C2	89.7 (2)	C73—C74—H74	120.1
C1—Mo1—Sn1	175.92 (15)	C74—C75—C76	120.4 (5)
C5—Mo1—Sn1	93.13 (14)	C74—C75—H75	119.8
C4—Mo1—Sn1	87.44 (14)	C76—C75—H75	119.8
C3—Mo1—Sn1	94.62 (13)	C75—C76—C71	120.7 (5)
C2—Mo1—Sn1	90.32 (13)	C75—C76—H76	119.7
O1—C1—Mo1	175.1 (5)	C71—C76—H76	119.7
O2—C2—Mo1	174.7 (4)	C82—C81—C86	118.8 (4)
O3—C3—Mo1	174.1 (4)	C82—C81—C21	122.8 (4)
O4—C4—Mo1	177.1 (5)	C86—C81—C21	118.2 (4)
O5—C5—Mo1	177.1 (5)	C81—C82—C83	120.5 (4)
Sn1—O6—Sn3	125.55 (13)	C81—C82—H82	119.8
Sn1—O6—Sn5	115.29 (12)	C83—C82—H82	119.8
Sn3—O6—Sn5	101.54 (11)	C84—C83—C82	120.6 (5)
Sn1—O6—Sn6	112.17 (12)	C84—C83—H83	119.7
Sn3—O6—Sn6	101.22 (11)	C82—C83—H83	119.7
Sn5—O6—Sn6	96.48 (11)	C85—C84—C83	119.1 (5)
Sn2—O7—Sn3	112.51 (12)	C85—C84—H84	120.4
Sn2—O7—Sn6	120.20 (13)	C83—C84—H84	120.4
Sn3—O7—Sn6	107.23 (12)	C84—C85—C86	121.0 (5)
Sn2i—O8—Sn2	101.19 (11)	C84—C85—H85	119.5
Sn2i—O8—Sn4i	130.09 (13)	C86—C85—H85	119.5
Sn2—O8—Sn4i	116.31 (12)	C85—C86—C81	119.9 (4)
Sn2i—O8—Sn3i	96.23 (10)	C85—C86—H86	120.0
Sn2—O8—Sn3i	94.86 (10)	C81—C86—H86	120.0
Sn4i—O8—Sn3i	111.20 (11)	C96—C91—C92	117.7 (4)
Sn2—O9—Sn3i	111.21 (12)	C96—C91—C29	123.2 (4)
Sn2—O9—Sn5i	130.83 (14)	C92—C91—C29	118.9 (4)
Sn3i—O9—Sn5i	106.75 (11)	C93—C92—C91	121.3 (5)
Sn6i—O10—Sn4	127.47 (14)	C93—C92—H92	119.3
Sn6i—O10—Sn5i	106.46 (12)	C91—C92—H92	119.3
Sn4—O10—Sn5i	120.31 (13)	C94—C93—C92	120.1 (5)
C13—N1—C17	120.3 (4)	C94—C93—H93	120.0
C13—N1—Sn1	119.1 (3)	C92—C93—H93	120.0
C17—N1—Sn1	120.1 (3)	C95—C94—C93	119.8 (5)
C23—N2—C27	118.9 (4)	C95—C94—H94	120.1
C23—N2—Sn2	114.9 (3)	C93—C94—H94	120.1
C27—N2—Sn2	125.9 (3)	C94—C95—C96	120.2 (5)
C11—O11—Sn1	129.7 (2)	C94—C95—H95	119.9
C19—O12—Sn1	132.0 (3)	C96—C95—H95	119.9
C21—O21—Sn2	126.6 (2)	C91—C96—C95	120.9 (4)
C29—O22—Sn4	120.8 (2)	C91—C96—H96	119.6
O11—C11—C41	110.5 (3)	C95—C96—H96	119.6
O11—C11—C31	105.7 (3)	C106—C101—C102	118.8 (4)
C41—C11—C31	110.1 (4)	C106—C101—C29	121.2 (4)
O11—C11—C12	110.8 (3)	C102—C101—C29	119.8 (4)
C41—C11—C12	107.5 (4)	C101—C102—C103	120.8 (5)
C31—C11—C12	112.3 (3)	C101—C102—H102	119.6
C13—C12—C11	111.4 (4)	C103—C102—H102	119.6
C13—C12—H12A	109.4	C104—C103—C102	120.1 (5)
C11—C12—H12A	109.4	C104—C103—H103	119.9
C13—C12—H12B	109.4	C102—C103—H103	119.9
C11—C12—H12B	109.4	C103—C104—C105	119.9 (5)
H12A—C12—H12B	108.0	C103—C104—H104	120.1
N1—C13—C14	121.1 (4)	C105—C104—H104	120.1
N1—C13—C12	116.2 (4)	C104—C105—C106	119.9 (5)
C14—C13—C12	122.6 (4)	C104—C105—H105	120.0
C15—C14—C13	118.8 (5)	C106—C105—H105	120.0
C15—C14—H14	120.6	C101—C106—C105	120.5 (5)
C13—C14—H14	120.6	C101—C106—H106	119.8
C14—C15—C16	120.1 (5)	C105—C106—H106	119.8
C14—C15—H15	120.0	C116—C111—C112	118.9 (7)
C16—C15—H15	120.0	C116—C111—C117	121.6 (7)
C15—C16—C17	118.8 (5)	C112—C111—C117	119.4 (7)
C15—C16—H16	120.6	C113—C112—C111	117.0 (7)
C17—C16—H16	120.6	C113—C112—H112	121.5
N1—C17—C16	120.8 (4)	C111—C112—H112	121.5
N1—C17—C18	116.4 (4)	C112—C113—C114	123.7 (7)
C16—C17—C18	122.7 (4)	C112—C113—H113	118.1
C17—C18—C19	116.8 (4)	C114—C113—H113	118.1
C17—C18—H18A	108.1	C115—C114—C113	118.9 (8)
C19—C18—H18A	108.1	C115—C114—H114	120.6
C17—C18—H18B	108.1	C113—C114—H114	120.6
C19—C18—H18B	108.1	C114—C115—C116	120.4 (8)
H18A—C18—H18B	107.3	C114—C115—H115	119.8
O12—C19—C61	108.0 (4)	C116—C115—H115	119.8
O12—C19—C51	110.1 (4)	C111—C116—C115	121.0 (7)
C61—C19—C51	109.7 (4)	C111—C116—H116	119.5
O12—C19—C18	111.0 (3)	C115—C116—H116	119.5
C61—C19—C18	112.0 (4)	C111—C117—H11C	109.5
C51—C19—C18	106.0 (4)	C111—C117—H11B	109.5
O21—C21—C71	106.6 (3)	H11C—C117—H11B	109.5
O21—C21—C81	111.7 (3)	C111—C117—H11A	109.5
C71—C21—C81	110.4 (3)	H11C—C117—H11A	109.5
O21—C21—C22	108.7 (3)	H11B—C117—H11A	109.5
C71—C21—C22	112.7 (4)	C122—C121—C126	119.3 (8)
C81—C21—C22	106.8 (3)	C122—C121—C127	119.7 (8)
C23—C22—C21	109.1 (3)	C126—C121—C127	121.0 (8)
C23—C22—H22A	109.9	C123—C122—C121	121.2 (9)
C21—C22—H22A	109.9	C123—C122—H122	119.4
C23—C22—H22B	109.9	C121—C122—H122	119.4
C21—C22—H22B	109.9	C122—C123—C124	121.2 (10)
H22A—C22—H22B	108.3	C122—C123—H123	119.4
N2—C23—C24	121.5 (4)	C124—C123—H123	119.4
N2—C23—C22	119.7 (4)	C125—C124—C123	115.0 (10)
C24—C23—C22	118.2 (4)	C125—C124—H124	122.5
C25—C24—C23	119.9 (4)	C123—C124—H124	122.5
C25—C24—H24	120.1	C126—C125—C124	125.7 (10)
C23—C24—H24	120.1	C126—C125—H125	117.1
C26—C25—C24	118.1 (5)	C124—C125—H125	117.1
C26—C25—H25	120.9	C125—C126—C121	117.5 (9)
C24—C25—H25	120.9	C125—C126—H126	121.2
C25—C26—C27	121.2 (5)	C121—C126—H126	121.2
C25—C26—H26	119.4	C121—C127—H12C	109.5
C27—C26—H26	119.4	C121—C127—H12D	109.5
N2—C27—C26	119.9 (4)	H12C—C127—H12D	109.5
N2—C27—C28	120.1 (4)	C121—C127—H12E	109.5
C26—C27—C28	119.9 (4)	H12C—C127—H12E	109.5
C27—C28—C29	111.5 (4)	H12D—C127—H12E	109.5
C27—C28—H28A	109.3	C136—C131—C132	121.6 (10)
C29—C28—H28A	109.3	C136—C131—C137	117.3 (9)
C27—C28—H28B	109.3	C132—C131—C137	121.0 (9)
C29—C28—H28B	109.3	C133—C132—C131	117.0 (10)
H28A—C28—H28B	108.0	C133—C132—H132	121.5
O22—C29—C91	110.1 (3)	C131—C132—H132	121.5
O22—C29—C101	111.5 (4)	C134—C133—C132	122.9 (10)
C91—C29—C101	109.1 (3)	C134—C133—H133	118.6
O22—C29—C28	107.8 (3)	C132—C133—H133	118.6
C91—C29—C28	111.4 (4)	C133—C134—C135	118.2 (10)
C101—C29—C28	106.8 (3)	C133—C134—H134	120.9
C32—C31—C36	117.8 (4)	C135—C134—H134	120.9
C32—C31—C11	124.4 (4)	C134—C135—C136	120.8 (10)
C36—C31—C11	117.4 (4)	C134—C135—H135	119.6
C31—C32—C33	120.6 (4)	C136—C135—H135	119.6
C31—C32—H32	119.7	C131—C136—C135	119.1 (10)
C33—C32—H32	119.7	C131—C136—H136	120.5
C34—C33—C32	120.1 (5)	C135—C136—H136	120.5
C34—C33—H33	120.0	C131—C137—H13A	109.5
C32—C33—H33	120.0	C131—C137—H13B	109.5
C33—C34—C35	120.1 (5)	H13A—C137—H13B	109.5
C33—C34—H34	119.9	C131—C137—H13C	109.5
C35—C34—H34	119.9	H13A—C137—H13C	109.5
C36—C35—C34	119.9 (5)	H13B—C137—H13C	109.5
C36—C35—H35	120.0	C142—C141—C143ii	119.3 (6)
C34—C35—H35	120.0	C142—C141—H141	120.3
C35—C36—C31	121.4 (4)	C143ii—C141—H141	120.3
C35—C36—H36	119.3	C143—C142—C141	120.8 (6)
C31—C36—H36	119.3	C143—C142—H142	119.6
C46—C41—C42	118.6 (4)	C141—C142—H142	119.6
C46—C41—C11	121.5 (4)	C142—C143—C141ii	119.9 (6)
C42—C41—C11	119.8 (4)	C142—C143—H143	120.0
C41—C42—C43	119.6 (5)	C141ii—C143—H143	120.0
C41—C42—H42	120.2	C141ii—C147—H14A	109.5
C43—C42—H42	120.2	C141ii—C147—H14B	109.5
C44—C43—C42	120.6 (6)	H14A—C147—H14B	109.5
C44—C43—H43	119.7	C141ii—C147—H14C	109.5
C42—C43—H43	119.7	H14A—C147—H14C	109.5
C45—C44—C43	120.4 (5)	H14B—C147—H14C	109.5

D—H···A	D—H	H···A	D···A	D—H···A
C22—H22A···O9	0.99	2.28	3.052 (5)	134
C28—H28A···O7	0.99	2.48	3.378 (5)	151
C33—H33···O1iii	0.95	2.53	3.205 (6)	128

Table 1

Hydrogen-bond geometry (, )

DHA	DH	HA	D A	DHA
C22H22AO9	0.99	2.28	3.052(5)	134
C28H28AO7	0.99	2.48	3.378(5)	151
C33H33O1i	0.95	2.53	3.205(6)	128

Symmetry code: (i) .