Crystal structures of di­aquadi-μ-hydroxido-tris­[tri­methyl­tin(IV)] diformatotri­methyl­stannate(IV) and di-μ-hydroxido-tris­[tri­methyl­tin(IV)] chloride monohydrate

The title compounds are partially condensed products of hydrolysed tri­methyl­tin chloride. In the two structures, short cationic tris­tannatoxanes (C₉H₂₉O₂Sn₃) are bridged by a diformatotri­methyl­tin anion or a chloride anion.

Key indicators

Structure: 1

• Single-crystal X-ray study
• T = 154 K
• Mean [sigma](O-C) = 0.003 Å
• R factor = 0.014
• wR factor = 0.027
• Data-to-parameter ratio = 27.5

Structure: 2

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](n-C) = 0.005 Å
• R factor = 0.022
• wR factor = 0.050
• Data-to-parameter ratio = 31.3

checkCIF/PLATON results

No syntax errors found



Datablock: 1


Alert level C
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density           0 Note

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C7 H22 O4 Sn2
            Atom count from _chemical_formula_moiety:C14 H24 O8 Sn4
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          3 Note
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.50 Check
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.          1 Note
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          1 Report
PLAT300_ALERT_4_G Atom Site Occupancy of *H1A    is Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of *H1B    is Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of *H1C    is Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of *H7A    is Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of *H7B    is Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of *H7C    is Constrained at        0.5 Check
PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group  #          6 Check
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          2 Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min)           2 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          3 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note
PLAT933_ALERT_2_G Number of OMIT records in Embedded RES .........          2 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  18 ALERT level G = General information/check it is not something unexpected

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




Datablock: 2


Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O3     --  H3E    ...     Please Check

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.64 Report
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density           0 Note

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          7 Note
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          1 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Sn1    --  Cl1     ..        7.5 s.u.
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          5 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          7 Note
PLAT933_ALERT_2_G Number of OMIT records in Embedded RES .........          7 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   7 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

For both compounds, data collection: APEX3 (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

(1) Diaquadi-µ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV)

Crystal data

[Sn3(CH3)9(OH)2(H2O)2][Sn(CH3)3(CHO2)2]	Dx = 1.925 Mg m^−3
Mr = 407.62	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P21212	Cell parameters from 9917 reflections
a = 11.0786 (8) Å	θ = 3–60°
b = 18.9529 (14) Å	µ = 3.54 mm^−1
c = 6.6990 (5) Å	T = 154 K
V = 1406.60 (18) Å^3	Block, colourless
Z = 4	0.16 × 0.10 × 0.08 mm
F(000) = 784

Data collection

Bruker D8 VENTURE area detector diffractometer	3966 independent reflections
Radiation source: microfocus sealed X-ray tube, Incoatec Iµs	3811 reflections with I > 2σ(I)
HELIOS mirror optics monochromator	Rint = 0.036
Detector resolution: 10.4167 pixels mm^-1	θmax = 29.6°, θmin = 2.8°
ω and φ scans	h = −15→15
Absorption correction: multi-scan (SADABS; Bruker, 2014)	k = −26→26
Tmin = 0.016, Tmax = 0.038	l = −9→9
56576 measured reflections

Refinement

Refinement on F^2	H atoms treated by a mixture of independent and constrained refinement
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0094P)^2 + 0.4247P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.014	(Δ/σ)max = 0.004
wR(F^2) = 0.027	Δρmax = 0.37 e Å^−3
S = 1.06	Δρmin = −0.33 e Å^−3
3966 reflections	Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
144 parameters	Extinction coefficient: 0.00294 (12)
2 restraints	Absolute structure: Flack x determined using 1569 quotients [(I^+)-(I^-)]/[(I^+)+(I^-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.040 (19)
Hydrogen site location: mixed

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.5000	1.0000	0.39740 (3)	0.01976 (5)
Sn2	0.51010 (2)	0.78803 (2)	0.42354 (2)	0.01984 (4)
Sn3	0.5000	0.5000	0.09198 (3)	0.01949 (5)
O1	0.43169 (16)	0.88858 (8)	0.3940 (3)	0.0275 (4)
O2	0.6162 (2)	0.67229 (10)	0.4624 (3)	0.0395 (5)
H2A	0.621 (4)	0.6398 (17)	0.370 (5)	0.070 (12)*
H2B	0.639 (3)	0.6499 (15)	0.567 (4)	0.047 (9)*
O3	0.63477 (16)	0.59175 (9)	0.1188 (3)	0.0275 (4)
O4	0.69708 (18)	0.60086 (10)	−0.1986 (3)	0.0321 (4)
C1	0.5000	1.0000	0.0790 (5)	0.0341 (7)
H1A	0.5212	0.9529	0.0302	0.051*	0.5
H1B	0.5592	1.0343	0.0302	0.051*	0.5
H1C	0.4195	1.0128	0.0302	0.051*	0.5
C2	0.6556 (2)	0.96914 (13)	0.5607 (4)	0.0284 (5)
H2C	0.6378	0.9263	0.6370	0.043*
H2D	0.6787	1.0071	0.6524	0.043*
H2E	0.7221	0.9598	0.4679	0.043*
C3	0.6662 (2)	0.81086 (14)	0.2519 (4)	0.0306 (6)
H3A	0.6517	0.8531	0.1709	0.046*
H3B	0.6842	0.7708	0.1643	0.046*
H3C	0.7347	0.8192	0.3414	0.046*
C4	0.5122 (3)	0.78733 (14)	0.7404 (3)	0.0326 (5)
H4A	0.5957	0.7907	0.7878	0.049*
H4B	0.4762	0.7433	0.7891	0.049*
H4C	0.4657	0.8276	0.7908	0.049*
C5	0.3709 (2)	0.72972 (13)	0.2806 (4)	0.0308 (6)
H5A	0.2923	0.7504	0.3140	0.046*
H5B	0.3733	0.6806	0.3261	0.046*
H5C	0.3827	0.7313	0.1357	0.046*
C6	0.3758 (2)	0.56431 (13)	−0.0639 (4)	0.0318 (6)
H6A	0.3182	0.5848	0.0307	0.048*
H6B	0.3323	0.5357	−0.1622	0.048*
H6C	0.4195	0.6022	−0.1324	0.048*
C7	0.5000	0.5000	0.4082 (4)	0.0354 (8)
H7A	0.5631	0.4681	0.4570	0.053*	0.5
H7B	0.4212	0.4840	0.4570	0.053*	0.5
H7C	0.5156	0.5479	0.4570	0.053*	0.5
C8	0.6991 (3)	0.61657 (14)	−0.0214 (4)	0.0293 (6)
H8	0.754 (3)	0.6574 (18)	0.034 (5)	0.059 (11)*
H1	0.365 (3)	0.8863 (17)	0.352 (5)	0.051 (11)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.01811 (9)	0.01947 (9)	0.02172 (9)	0.00005 (9)	0.000	0.000
Sn2	0.02197 (7)	0.01935 (7)	0.01820 (7)	−0.00208 (7)	−0.00006 (8)	0.00073 (5)
Sn3	0.02102 (9)	0.02158 (9)	0.01588 (9)	0.00227 (9)	0.000	0.000
O1	0.0229 (8)	0.0186 (8)	0.0409 (11)	−0.0023 (6)	−0.0077 (9)	0.0001 (8)
O2	0.0672 (15)	0.0270 (10)	0.0243 (10)	0.0151 (10)	−0.0095 (10)	−0.0033 (8)
O3	0.0312 (9)	0.0298 (9)	0.0215 (9)	−0.0063 (7)	0.0027 (7)	−0.0014 (7)
O4	0.0402 (11)	0.0324 (10)	0.0237 (9)	0.0027 (8)	0.0069 (8)	0.0040 (8)
C1	0.0422 (19)	0.0356 (17)	0.0246 (15)	−0.0051 (19)	0.000	0.000
C2	0.0232 (11)	0.0292 (12)	0.0328 (14)	0.0009 (9)	−0.0063 (11)	−0.0031 (11)
C3	0.0274 (13)	0.0346 (14)	0.0298 (14)	−0.0020 (10)	0.0062 (11)	0.0034 (11)
C4	0.0401 (14)	0.0367 (12)	0.0209 (10)	0.0067 (16)	0.0047 (13)	−0.0009 (9)
C5	0.0332 (14)	0.0272 (12)	0.0320 (14)	−0.0078 (10)	−0.0052 (11)	−0.0016 (10)
C6	0.0341 (13)	0.0263 (12)	0.0350 (15)	0.0070 (10)	−0.0090 (13)	−0.0015 (11)
C7	0.0332 (17)	0.056 (2)	0.0170 (14)	−0.014 (2)	0.000	0.000
C8	0.0310 (14)	0.0290 (14)	0.0280 (14)	−0.0054 (11)	0.0015 (10)	0.0024 (10)

Geometric parameters (Å, º)

Sn1—O1	2.2433 (16)	C1—H1B	0.9800
Sn1—O1^i	2.2433 (16)	C1—H1C	0.9800
Sn1—C1	2.133 (3)	C2—H2C	0.9800
Sn1—C2	2.124 (2)	C2—H2D	0.9800
Sn1—C2^i	2.124 (2)	C2—H2E	0.9800
Sn2—O1	2.1036 (16)	C3—H3A	0.9800
Sn2—O2	2.5023 (19)	C3—H3B	0.9800
Sn2—C3	2.121 (2)	C3—H3C	0.9800
Sn2—C4	2.123 (2)	C4—H4A	0.9800
Sn2—C5	2.126 (2)	C4—H4B	0.9800
Sn3—O3^ii	2.2991 (17)	C4—H4C	0.9800
Sn3—O3	2.2990 (17)	C5—H5A	0.9800
Sn3—C6	2.114 (2)	C5—H5B	0.9800
Sn3—C6^ii	2.114 (2)	C5—H5C	0.9800
Sn3—C7	2.119 (3)	C6—H6A	0.9800
O1—H1	0.79 (4)	C6—H6B	0.9800
O2—H2A	0.87 (2)	C6—H6C	0.9800
O2—H2B	0.86 (2)	C7—H7A	0.9800
O3—C8	1.269 (3)	C7—H7B	0.9800
O4—C8	1.224 (3)	C7—H7C	0.9800
C1—H1A	0.9800	C8—H8	1.05 (3)
O1—Sn1—O1^i	178.83 (11)	H1A—C1—H1C	109.5
C1—Sn1—O1^i	89.42 (5)	H1B—C1—H1C	109.5
C1—Sn1—O1	89.42 (5)	Sn1—C2—H2C	109.5
C2—Sn1—O1	91.14 (8)	Sn1—C2—H2D	109.5
C2—Sn1—O1^i	89.46 (8)	Sn1—C2—H2E	109.5
C2^i—Sn1—O1	89.46 (8)	H2C—C2—H2D	109.5
C2^i—Sn1—O1^i	91.14 (8)	H2C—C2—H2E	109.5
C2^i—Sn1—C1	121.00 (7)	H2D—C2—H2E	109.5
C2—Sn1—C1	121.00 (7)	Sn2—C3—H3A	109.5
C2—Sn1—C2^i	118.01 (15)	Sn2—C3—H3B	109.5
O1—Sn2—O2	176.30 (8)	Sn2—C3—H3C	109.5
O1—Sn2—C3	95.79 (9)	H3A—C3—H3B	109.5
O1—Sn2—C4	95.99 (9)	H3A—C3—H3C	109.5
O1—Sn2—C5	97.41 (9)	H3B—C3—H3C	109.5
C3—Sn2—O2	81.51 (9)	Sn2—C4—H4A	109.5
C3—Sn2—C4	122.30 (12)	Sn2—C4—H4B	109.5
C3—Sn2—C5	116.97 (11)	Sn2—C4—H4C	109.5
C4—Sn2—O2	83.41 (9)	H4A—C4—H4B	109.5
C4—Sn2—C5	117.08 (11)	H4A—C4—H4C	109.5
C5—Sn2—O2	86.09 (9)	H4B—C4—H4C	109.5
O3—Sn3—O3^ii	171.04 (9)	Sn2—C5—H5A	109.5
C6—Sn3—O3^ii	92.99 (9)	Sn2—C5—H5B	109.5
C6^ii—Sn3—O3^ii	91.44 (9)	Sn2—C5—H5C	109.5
C6^ii—Sn3—O3	92.99 (9)	H5A—C5—H5B	109.5
C6—Sn3—O3	91.43 (9)	H5A—C5—H5C	109.5
C6^ii—Sn3—C6	120.80 (16)	H5B—C5—H5C	109.5
C6—Sn3—C7	119.60 (8)	Sn3—C6—H6A	109.5
C6^ii—Sn3—C7	119.60 (8)	Sn3—C6—H6B	109.5
C7—Sn3—O3^ii	85.52 (4)	Sn3—C6—H6C	109.5
C7—Sn3—O3	85.52 (4)	H6A—C6—H6B	109.5
Sn1—O1—H1	112 (2)	H6A—C6—H6C	109.5
Sn2—O1—Sn1	135.44 (9)	H6B—C6—H6C	109.5
Sn2—O1—H1	112 (2)	Sn3—C7—H7A	109.5
Sn2—O2—H2A	125 (3)	Sn3—C7—H7B	109.5
Sn2—O2—H2B	131 (2)	Sn3—C7—H7C	109.5
H2A—O2—H2B	102 (3)	H7A—C7—H7B	109.5
C8—O3—Sn3	125.94 (17)	H7A—C7—H7C	109.5
Sn1—C1—H1A	109.5	H7B—C7—H7C	109.5
Sn1—C1—H1B	109.5	O3—C8—H8	110 (2)
Sn1—C1—H1C	109.5	O4—C8—O3	128.1 (3)
H1A—C1—H1B	109.5	O4—C8—H8	122 (2)
Sn3—O3—C8—O4	5.5 (4)

Symmetry codes: (i) −x+1, −y+2, z; (ii) −x+1, −y+1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2A···O3	0.87 (2)	1.92 (3)	2.770 (3)	164 (4)
O2—H2B···O4^iii	0.86 (2)	1.93 (2)	2.791 (3)	178 (3)
O1—H1···O4^iv	0.79 (4)	2.14 (4)	2.917 (3)	167 (3)

Symmetry codes: (iii) x, y, z+1; (iv) x−1/2, −y+3/2, −z.

(2) Di-µ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate

Crystal data

[Sn3(CH3)9(OH)2]Cl·H2O	Dx = 2.000 Mg m^−3
Mr = 578.86	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pca21	Cell parameters from 9903 reflections
a = 12.623 (3) Å	θ = 2.9–29.6°
b = 8.2675 (18) Å	µ = 4.00 mm^−1
c = 18.421 (5) Å	T = 100 K
V = 1922.4 (8) Å^3	Block, colourless
Z = 4	0.16 × 0.14 × 0.07 mm
F(000) = 1104

Data collection

Bruker D8 VENTURE area detector diffractometer	5072 reflections with I > 2σ(I)
Detector resolution: 10.4167 pixels mm^-1	Rint = 0.019
φ and ω scans	θmax = 29.7°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2014)	h = −15→17
Tmin = 0.010, Tmax = 0.032	k = −11→11
16017 measured reflections	l = −25→25
5320 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.022	w = 1/[σ^2(Fo^2) + (0.0269P)^2 + 0.6817P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.050	(Δ/σ)max = 0.001
S = 1.06	Δρmax = 1.01 e Å^−3
5320 reflections	Δρmin = −0.38 e Å^−3
170 parameters	Absolute structure: Flack x determined using 2271 quotients [(I^+)-(I^-)]/[(I^+)+(I^-)] (Parsons et al., 2013)
5 restraints	Absolute structure parameter: −0.026 (19)
Primary atom site location: structure-invariant direct methods

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C1	0.7513 (5)	0.1853 (7)	0.7655 (3)	0.0397 (11)
H1A	0.7352	0.2995	0.7566	0.059*
H1B	0.8181	0.1767	0.7924	0.059*
H1C	0.6941	0.1366	0.7941	0.059*
C2	0.7054 (4)	−0.1756 (6)	0.6542 (3)	0.0345 (10)
H2A	0.6448	−0.1902	0.6868	0.052*
H2B	0.7609	−0.2537	0.6667	0.052*
H2C	0.6828	−0.1931	0.6039	0.052*
C3	0.8814 (4)	0.1523 (7)	0.5927 (3)	0.0358 (11)
H3A	0.8661	0.1136	0.5435	0.054*
H3B	0.9515	0.1141	0.6077	0.054*
H3C	0.8802	0.2709	0.5933	0.054*
C4	0.6887 (5)	0.4752 (7)	0.5271 (3)	0.0436 (13)
H4A	0.7587	0.4640	0.5046	0.065*
H4B	0.6969	0.4882	0.5797	0.065*
H4C	0.6527	0.5702	0.5071	0.065*
C5	0.4333 (5)	0.2706 (8)	0.5290 (3)	0.0490 (15)
H5A	0.4053	0.3790	0.5191	0.073*
H5B	0.4221	0.2438	0.5802	0.073*
H5C	0.3965	0.1915	0.4984	0.073*
C6	0.6638 (5)	0.0545 (6)	0.4578 (3)	0.0381 (11)
H6A	0.6173	0.0158	0.4189	0.057*
H6B	0.6712	−0.0298	0.4948	0.057*
H6C	0.7336	0.0803	0.4376	0.057*
C7	0.7215 (4)	0.6488 (6)	0.3435 (3)	0.0367 (10)
H7A	0.7630	0.5597	0.3640	0.055*
H7B	0.7275	0.7439	0.3750	0.055*
H7C	0.7485	0.6753	0.2950	0.055*
C8	0.4542 (4)	0.7036 (6)	0.4051 (3)	0.0359 (11)
H8A	0.3839	0.6535	0.4026	0.054*
H8B	0.4493	0.8169	0.3898	0.054*
H8C	0.4806	0.6985	0.4551	0.054*
C9	0.5063 (5)	0.4823 (7)	0.2352 (3)	0.0390 (11)
H9A	0.5524	0.5207	0.1960	0.059*
H9B	0.4335	0.5179	0.2260	0.059*
H9C	0.5085	0.3639	0.2371	0.059*
O1	0.6340 (3)	0.1729 (4)	0.61594 (19)	0.0327 (7)
H1	0.575 (4)	0.168 (9)	0.648 (3)	0.06 (2)*
O2	0.5652 (3)	0.3638 (4)	0.39350 (19)	0.0333 (7)
H2	0.519 (4)	0.293 (6)	0.369 (3)	0.040 (16)*
Sn1	0.76540 (2)	0.06256 (3)	0.66540 (2)	0.02692 (7)
Sn2	0.59742 (2)	0.26536 (3)	0.50553 (2)	0.02755 (7)
Sn3	0.55935 (2)	0.57842 (4)	0.33566 (2)	0.02786 (7)
O3	0.4394 (3)	0.1219 (5)	0.3417 (3)	0.0488 (10)
H3D	0.467 (7)	0.043 (8)	0.308 (4)	0.08 (3)*
H3E	0.365 (4)	0.127 (15)	0.328 (10)	0.18 (6)*
Cl1	0.94986 (10)	−0.10984 (17)	0.73601 (7)	0.0379 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.037 (3)	0.049 (3)	0.033 (3)	0.000 (3)	−0.002 (2)	−0.011 (2)
C2	0.033 (2)	0.034 (2)	0.037 (3)	−0.0031 (19)	−0.002 (2)	0.0016 (19)
C3	0.029 (2)	0.042 (3)	0.036 (3)	−0.003 (2)	0.002 (2)	0.004 (2)
C4	0.058 (4)	0.037 (3)	0.035 (3)	−0.009 (3)	−0.009 (2)	0.003 (2)
C5	0.035 (3)	0.068 (4)	0.044 (3)	0.007 (3)	0.004 (2)	0.019 (3)
C6	0.048 (3)	0.034 (2)	0.032 (2)	0.007 (2)	−0.006 (2)	−0.0010 (19)
C7	0.032 (2)	0.044 (3)	0.034 (2)	−0.002 (2)	0.000 (2)	0.006 (2)
C8	0.036 (3)	0.041 (3)	0.031 (2)	0.003 (2)	0.003 (2)	0.002 (2)
C9	0.046 (3)	0.039 (3)	0.032 (2)	0.000 (2)	−0.008 (2)	0.001 (2)
O1	0.0276 (17)	0.0410 (18)	0.0295 (17)	0.0025 (15)	0.0020 (14)	0.0056 (14)
O2	0.041 (2)	0.0288 (17)	0.0306 (17)	−0.0010 (15)	−0.0037 (15)	0.0010 (13)
Sn1	0.02689 (14)	0.02985 (14)	0.02403 (13)	−0.00150 (11)	0.00091 (13)	0.00026 (11)
Sn2	0.02642 (14)	0.02809 (14)	0.02815 (14)	0.00031 (11)	−0.00014 (13)	0.00004 (12)
Sn3	0.02768 (15)	0.02928 (14)	0.02664 (14)	0.00066 (11)	−0.00002 (13)	0.00054 (12)
O3	0.047 (2)	0.045 (2)	0.054 (3)	0.0023 (18)	−0.005 (2)	−0.011 (2)
Cl1	0.0311 (6)	0.0487 (7)	0.0339 (6)	0.0014 (5)	−0.0004 (5)	0.0028 (5)

Geometric parameters (Å, º)

C1—H1A	0.9800	C6—Sn2	2.125 (5)
C1—H1B	0.9800	C7—H7A	0.9800
C1—H1C	0.9800	C7—H7B	0.9800
C1—Sn1	2.113 (5)	C7—H7C	0.9800
C2—H2A	0.9800	C7—Sn3	2.133 (5)
C2—H2B	0.9800	C8—H8A	0.9800
C2—H2C	0.9800	C8—H8B	0.9800
C2—Sn1	2.120 (5)	C8—H8C	0.9800
C3—H3A	0.9800	C8—Sn3	2.114 (5)
C3—H3B	0.9800	C9—H9A	0.9800
C3—H3C	0.9800	C9—H9B	0.9800
C3—Sn1	2.118 (5)	C9—H9C	0.9800
C4—H4A	0.9800	C9—Sn3	2.123 (5)
C4—H4B	0.9800	O1—H1	0.95 (3)
C4—H4C	0.9800	O1—Sn1	2.100 (3)
C4—Sn2	2.120 (5)	O1—Sn2	2.222 (3)
C5—H5A	0.9800	O2—H2	0.94 (3)
C5—H5B	0.9800	O2—Sn2	2.255 (4)
C5—H5C	0.9800	O2—Sn3	2.071 (3)
C5—Sn2	2.117 (6)	Sn1—Cl1	3.0240 (14)
C6—H6A	0.9800	O3—H3D	0.97 (3)
C6—H6B	0.9800	O3—H3E	0.98 (3)
C6—H6C	0.9800	Cl1—Sn3^i	3.1663 (15)
H1A—C1—H1B	109.5	H8B—C8—H8C	109.5
H1A—C1—H1C	109.5	Sn3—C8—H8A	109.5
H1B—C1—H1C	109.5	Sn3—C8—H8B	109.5
Sn1—C1—H1A	109.5	Sn3—C8—H8C	109.5
Sn1—C1—H1B	109.5	H9A—C9—H9B	109.5
Sn1—C1—H1C	109.5	H9A—C9—H9C	109.5
H2A—C2—H2B	109.5	H9B—C9—H9C	109.5
H2A—C2—H2C	109.5	Sn3—C9—H9A	109.5
H2B—C2—H2C	109.5	Sn3—C9—H9B	109.5
Sn1—C2—H2A	109.5	Sn3—C9—H9C	109.5
Sn1—C2—H2B	109.5	Sn1—O1—H1	109 (4)
Sn1—C2—H2C	109.5	Sn1—O1—Sn2	135.30 (17)
H3A—C3—H3B	109.5	Sn2—O1—H1	115 (4)
H3A—C3—H3C	109.5	Sn2—O2—H2	109 (4)
H3B—C3—H3C	109.5	Sn3—O2—H2	105 (4)
Sn1—C3—H3A	109.5	Sn3—O2—Sn2	141.84 (17)
Sn1—C3—H3B	109.5	C1—Sn1—C2	120.1 (2)
Sn1—C3—H3C	109.5	C1—Sn1—C3	116.2 (2)
H4A—C4—H4B	109.5	C1—Sn1—Cl1	85.16 (17)
H4A—C4—H4C	109.5	C2—Sn1—Cl1	83.06 (14)
H4B—C4—H4C	109.5	C3—Sn1—C2	120.7 (2)
Sn2—C4—H4A	109.5	C3—Sn1—Cl1	84.55 (15)
Sn2—C4—H4B	109.5	O1—Sn1—C1	95.96 (19)
Sn2—C4—H4C	109.5	O1—Sn1—C2	94.52 (17)
H5A—C5—H5B	109.5	O1—Sn1—C3	96.85 (17)
H5A—C5—H5C	109.5	O1—Sn1—Cl1	177.58 (10)
H5B—C5—H5C	109.5	C4—Sn2—C6	122.3 (3)
Sn2—C5—H5A	109.5	C4—Sn2—O1	89.81 (18)
Sn2—C5—H5B	109.5	C4—Sn2—O2	88.55 (17)
Sn2—C5—H5C	109.5	C5—Sn2—C4	118.5 (3)
H6A—C6—H6B	109.5	C5—Sn2—C6	119.2 (3)
H6A—C6—H6C	109.5	C5—Sn2—O1	91.36 (18)
H6B—C6—H6C	109.5	C5—Sn2—O2	90.15 (19)
Sn2—C6—H6A	109.5	C6—Sn2—O1	90.83 (17)
Sn2—C6—H6B	109.5	C6—Sn2—O2	89.35 (17)
Sn2—C6—H6C	109.5	O1—Sn2—O2	178.17 (14)
H7A—C7—H7B	109.5	C8—Sn3—C7	115.3 (2)
H7A—C7—H7C	109.5	C8—Sn3—C9	120.9 (2)
H7B—C7—H7C	109.5	C9—Sn3—C7	117.6 (2)
Sn3—C7—H7A	109.5	O2—Sn3—C7	99.50 (18)
Sn3—C7—H7B	109.5	O2—Sn3—C8	97.50 (17)
Sn3—C7—H7C	109.5	O2—Sn3—C9	97.99 (18)
H8A—C8—H8B	109.5	H3D—O3—H3E	102 (10)
H8A—C8—H8C	109.5	Sn1—Cl1—Sn3^i	127.21 (4)

Symmetry code: (i) −x+3/2, y−1, z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2···O3	0.94 (3)	1.81 (3)	2.726 (5)	164 (6)
O1—H1···Cl1^ii	0.95 (3)	2.32 (3)	3.251 (4)	168 (6)
O3—H3D···Cl1^iii	0.97 (3)	2.10 (3)	3.068 (5)	171 (8)

Symmetry codes: (ii) x−1/2, −y, z; (iii) −x+3/2, y, z−1/2.