Tetra-chloridodi-μ3-oxido-tetra-kis-(μ2-propan-2-olato-κ(2) O:O)ditin(II)ditin(IV).

The centrosymmetric tetranuclear title molecule, [Sn4(C3H7O)4Cl4O2], contains two types of Sn atoms, Sn(II) and Sn(IV). The Sn(II) atom has a trigonal-pyramidal coordination environment and is bonded to two O atoms from two iso-propano-late groups and one μ3-oxide atom. The Sn(IV) atom has an octa-hedral coordination environment, formed by two chloride atoms, two μ3-oxide atoms and two O atoms from iso-propano-late groups.

Related literature

For the synthesis and structures of related tin and titanium complexes, see: Boyle et al. (2002 ▶); Eslava et al. (2010 ▶); Fric & Schubert (2008 ▶); Harrison et al. (1978 ▶); Mijatovic et al. (2001 ▶); Mokal et al. (1994 ▶); Vatsa et al. (1991 ▶); Verdenelli et al. (2000 ▶).

Experimental

Crystal data

[Sn4(C3H7O)4Cl4O2]

M = 884.98

Monoclinic,

a = 6.4423 (3) Å

b = 17.8302 (7) Å

c = 11.6843 (5) Å

β = 105.474 (2)°

V = 1293.5 (1) Å3

Z = 2

Mo Kα radiation

μ = 4.25 mm−1

T = 296 K

0.36 × 0.17 × 0.12 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (DENZO/SCALEPACK; Otwinowski & Minor, 1997 ▶) T min = 0.310, T max = 0.629

14221 measured reflections

3853 independent reflections

2930 reflections with I > 2σ(I)

R int = 0.041

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.061

S = 1.10

3853 reflections

118 parameters

H-atom parameters constrained

Δρmax = 0.93 e Å−3

Δρmin = −0.80 e Å−3

Data collection: COLLECT (Nonius, 2000 ▶); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997 ▶); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SIR2004 (Burla et al., 2005 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536814000816/hy2641sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814000816/hy2641Isup2.hkl

CCDC reference:

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

[Sn4(C3H7O)4Cl4O2]	F(000) = 832
Mr = 884.98	Dx = 2.272 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3853 reflections
a = 6.4423 (3) Å	θ = 2.1–31.1°
b = 17.8302 (7) Å	µ = 4.25 mm−1
c = 11.6843 (5) Å	T = 296 K
β = 105.474 (2)°	Block, colorless
V = 1293.5 (1) Å3	0.36 × 0.17 × 0.12 mm
Z = 2

Nonius KappaCCD diffractometer	3853 independent reflections
Radiation source: fine-focus sealed tube	2930 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.041
φ and ω scans with κ offset	θmax = 31.1°, θmin = 2.1°
Absorption correction: multi-scan (DENZO/SCALEPACK; Otwinowski & Minor, 1997)	h = −9→9
Tmin = 0.310, Tmax = 0.629	k = −25→21
14221 measured reflections	l = −16→15

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)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.061	H-atom parameters constrained
S = 1.10	w = 1/[σ2(Fo2) + (0.P)2 + 2.1387P] where P = (Fo2 + 2Fc2)/3
3853 reflections	(Δ/σ)max = 0.001
118 parameters	Δρmax = 0.93 e Å−3
0 restraints	Δρmin = −0.80 e Å−3

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.

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 > 2sigma(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
Sn1	0.47306 (5)	0.589199 (15)	0.51770 (2)	0.02814 (8)
Sn2	0.07243 (5)	0.494763 (16)	0.33749 (3)	0.03368 (8)
Cl1	0.1984 (2)	0.65257 (7)	0.58158 (12)	0.0527 (3)
Cl2	0.6589 (2)	0.69913 (7)	0.49108 (12)	0.0538 (3)
O1	0.6730 (5)	0.57626 (15)	0.6906 (2)	0.0358 (7)
O2	0.2858 (5)	0.58942 (15)	0.3422 (2)	0.0347 (7)
O3	0.2987 (4)	0.48801 (13)	0.5045 (2)	0.0271 (6)
C1	0.6845 (8)	0.6280 (3)	0.7884 (4)	0.0430 (11)
H1	0.6029	0.6732	0.7566	0.052*
C2	0.9156 (9)	0.6503 (3)	0.8431 (5)	0.0674 (17)
H2A	0.9729	0.6733	0.7838	0.101*
H2B	0.9987	0.6065	0.8737	0.101*
H2C	0.9223	0.6852	0.9066	0.101*
C3	0.5808 (11)	0.5926 (4)	0.8751 (5)	0.083 (2)
H3A	0.4334	0.5810	0.8360	0.124*
H3B	0.5860	0.6268	0.9393	0.124*
H3C	0.6562	0.5474	0.9056	0.124*
C4	0.2592 (8)	0.6511 (2)	0.2583 (4)	0.0423 (11)
H4	0.3093	0.6973	0.3024	0.051*
C5	0.3896 (12)	0.6379 (4)	0.1741 (6)	0.100 (3)
H5A	0.5384	0.6332	0.2170	0.150*
H5B	0.3728	0.6794	0.1199	0.150*
H5C	0.3425	0.5926	0.1304	0.150*
C6	0.0244 (10)	0.6592 (3)	0.1970 (6)	0.086 (2)
H6A	−0.0541	0.6678	0.2549	0.130*
H6B	−0.0269	0.6142	0.1536	0.130*
H6C	0.0039	0.7009	0.1431	0.130*

	U11	U22	U33	U12	U13	U23
Sn1	0.02865 (15)	0.02228 (14)	0.03221 (15)	0.00089 (12)	0.00591 (11)	−0.00050 (12)
Sn2	0.03055 (16)	0.03210 (16)	0.03533 (16)	−0.00024 (13)	0.00347 (12)	0.00033 (13)
Cl1	0.0432 (7)	0.0410 (7)	0.0770 (9)	0.0083 (5)	0.0215 (6)	−0.0119 (6)
Cl2	0.0424 (7)	0.0356 (6)	0.0738 (9)	−0.0129 (5)	−0.0009 (6)	0.0116 (6)
O1	0.0380 (17)	0.0359 (17)	0.0309 (15)	0.0064 (13)	0.0044 (13)	−0.0096 (13)
O2	0.0364 (17)	0.0268 (15)	0.0370 (15)	−0.0058 (13)	0.0032 (13)	0.0050 (13)
O3	0.0297 (15)	0.0200 (14)	0.0302 (14)	0.0016 (11)	0.0058 (11)	−0.0004 (11)
C1	0.053 (3)	0.040 (3)	0.033 (2)	0.007 (2)	0.005 (2)	−0.014 (2)
C2	0.062 (4)	0.076 (4)	0.060 (3)	−0.013 (3)	0.011 (3)	−0.035 (3)
C3	0.103 (5)	0.098 (5)	0.058 (3)	−0.031 (4)	0.042 (4)	−0.035 (3)
C4	0.049 (3)	0.031 (2)	0.042 (3)	−0.003 (2)	0.003 (2)	0.014 (2)
C5	0.137 (7)	0.088 (5)	0.102 (5)	0.023 (5)	0.078 (5)	0.041 (4)
C6	0.079 (5)	0.064 (4)	0.093 (5)	0.004 (3)	−0.017 (4)	0.042 (4)

Sn1—O1	2.099 (3)	C2—H2A	0.9600
Sn1—O2	2.084 (3)	C2—H2B	0.9600
Sn1—O3	2.109 (2)	C2—H2C	0.9600
Sn1—O3i	2.081 (3)	C3—H3A	0.9600
Sn1—Cl1	2.3808 (12)	C3—H3B	0.9600
Sn1—Cl2	2.3604 (11)	C3—H3C	0.9600
Sn1—Sn1i	3.2382 (5)	C4—C5	1.473 (7)
Sn2—O1i	2.165 (3)	C4—C6	1.498 (7)
Sn2—O2	2.168 (3)	C4—H4	0.9800
Sn2—O3	2.105 (2)	C5—H5A	0.9600
O1—C1	1.456 (5)	C5—H5B	0.9600
O2—C4	1.453 (5)	C5—H5C	0.9600
C1—C3	1.494 (7)	C6—H6A	0.9600
C1—C2	1.508 (7)	C6—H6B	0.9600
C1—H1	0.9800	C6—H6C	0.9600
O3i—Sn1—O2	96.97 (10)	C3—C1—C2	113.2 (4)
O3i—Sn1—O1	76.99 (10)	O1—C1—H1	108.3
O2—Sn1—O1	173.28 (10)	C3—C1—H1	108.3
O3i—Sn1—O3	78.77 (11)	C2—C1—H1	108.3
O2—Sn1—O3	76.86 (10)	C1—C2—H2A	109.5
O1—Sn1—O3	98.87 (10)	C1—C2—H2B	109.5
O3i—Sn1—Cl2	97.63 (8)	H2A—C2—H2B	109.5
O2—Sn1—Cl2	92.84 (8)	C1—C2—H2C	109.5
O1—Sn1—Cl2	90.89 (9)	H2A—C2—H2C	109.5
O3—Sn1—Cl2	168.46 (7)	H2B—C2—H2C	109.5
O3i—Sn1—Cl1	164.20 (8)	C1—C3—H3A	109.5
O2—Sn1—Cl1	91.38 (9)	C1—C3—H3B	109.5
O1—Sn1—Cl1	93.83 (8)	H3A—C3—H3B	109.5
O3—Sn1—Cl1	90.17 (8)	C1—C3—H3C	109.5
Cl2—Sn1—Cl1	95.32 (5)	H3A—C3—H3C	109.5
O3i—Sn1—Sn1i	39.70 (7)	H3B—C3—H3C	109.5
O2—Sn1—Sn1i	85.98 (7)	O2—C4—C5	110.1 (4)
O1—Sn1—Sn1i	87.47 (7)	O2—C4—C6	108.6 (4)
O3—Sn1—Sn1i	39.06 (7)	C5—C4—C6	112.3 (5)
Cl2—Sn1—Sn1i	136.34 (4)	O2—C4—H4	108.6
Cl1—Sn1—Sn1i	128.33 (3)	C5—C4—H4	108.6
O3—Sn2—O1i	75.04 (10)	C6—C4—H4	108.6
O3—Sn2—O2	75.14 (10)	C4—C5—H5A	109.5
O1i—Sn2—O2	87.61 (11)	C4—C5—H5B	109.5
C1—O1—Sn1	125.2 (2)	H5A—C5—H5B	109.5
C1—O1—Sn2i	127.4 (3)	C4—C5—H5C	109.5
Sn1—O1—Sn2i	102.33 (11)	H5A—C5—H5C	109.5
C4—O2—Sn1	126.8 (2)	H5B—C5—H5C	109.5
C4—O2—Sn2	127.8 (2)	C4—C6—H6A	109.5
Sn1—O2—Sn2	102.71 (11)	C4—C6—H6B	109.5
Sn1i—O3—Sn2	105.05 (11)	H6A—C6—H6B	109.5
Sn1i—O3—Sn1	101.23 (11)	C4—C6—H6C	109.5
Sn2—O3—Sn1	104.02 (10)	H6A—C6—H6C	109.5
O1—C1—C3	109.0 (4)	H6B—C6—H6C	109.5
O1—C1—C2	109.7 (4)
O3i—Sn1—O1—C1	162.0 (3)	O1i—Sn2—O3—Sn1i	−5.91 (11)
O3—Sn1—O1—C1	−121.8 (3)	O2—Sn2—O3—Sn1i	−97.42 (13)
Cl2—Sn1—O1—C1	64.4 (3)	O1i—Sn2—O3—Sn1	100.06 (12)
Cl1—Sn1—O1—C1	−31.0 (3)	O2—Sn2—O3—Sn1	8.55 (10)
Sn1i—Sn1—O1—C1	−159.3 (3)	O3i—Sn1—O3—Sn1i	0.0
O3i—Sn1—O1—Sn2i	5.81 (11)	O2—Sn1—O3—Sn1i	99.98 (12)
O3—Sn1—O1—Sn2i	82.02 (12)	O1—Sn1—O3—Sn1i	−74.73 (11)
Cl2—Sn1—O1—Sn2i	−91.81 (10)	Cl2—Sn1—O3—Sn1i	72.8 (4)
Cl1—Sn1—O1—Sn2i	172.79 (10)	Cl1—Sn1—O3—Sn1i	−168.64 (9)
Sn1i—Sn1—O1—Sn2i	44.54 (9)	O3i—Sn1—O3—Sn2	−108.82 (14)
O3i—Sn1—O2—C4	−112.5 (3)	O2—Sn1—O3—Sn2	−8.83 (11)
O3—Sn1—O2—C4	170.8 (3)	O1—Sn1—O3—Sn2	176.45 (11)
Cl2—Sn1—O2—C4	−14.4 (3)	Cl2—Sn1—O3—Sn2	−36.0 (4)
Cl1—Sn1—O2—C4	81.0 (3)	Cl1—Sn1—O3—Sn2	82.55 (10)
Sn1i—Sn1—O2—C4	−150.7 (3)	Sn1i—Sn1—O3—Sn2	−108.82 (14)
O3i—Sn1—O2—Sn2	85.22 (12)	Sn1—O1—C1—C3	108.1 (4)
O3—Sn1—O2—Sn2	8.53 (10)	Sn2i—O1—C1—C3	−101.7 (4)
Cl2—Sn1—O2—Sn2	−176.73 (10)	Sn1—O1—C1—C2	−127.4 (4)
Cl1—Sn1—O2—Sn2	−81.33 (10)	Sn2i—O1—C1—C2	22.8 (5)
Sn1i—Sn1—O2—Sn2	47.00 (9)	Sn1—O2—C4—C5	102.9 (5)
O3—Sn2—O2—C4	−170.6 (3)	Sn2—O2—C4—C5	−99.2 (5)
O1i—Sn2—O2—C4	114.2 (3)	Sn1—O2—C4—C6	−133.8 (4)
O3—Sn2—O2—Sn1	−8.61 (10)	Sn2—O2—C4—C6	24.1 (5)
O1i—Sn2—O2—Sn1	−83.76 (12)

Table 1

Selected bond lengths (Å)

Sn1—O1	2.099 (3)
Sn1—O2	2.084 (3)
Sn1—O3	2.109 (2)
Sn1—O3i	2.081 (3)
Sn1—Cl1	2.3808 (12)
Sn1—Cl2	2.3604 (11)
Sn2—O1i	2.165 (3)
Sn2—O2	2.168 (3)
Sn2—O3	2.105 (2)

Symmetry code: (i) .