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Di­bromidodi-μ-hydroxido-di-μ3-oxido-octa­phenyl­tetra­tin(IV)

aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my

(Received 16 November 2009; accepted 1 December 2009; online 4 December 2009)

In the centrosymmetric title compound, [Sn4Br2(C6H5)8O2(OH)2], the four tin(IV) atoms are bridged by the hydroxo and oxo ligands, forming a ladder-like array of three edge-connected Sn2O2 squares. The two independent tin atoms show distorted trigonal-bipyramidal SnC2O3 and SnC2O2Br coordination geometries.

Related literature

For other [Sn4X2(O)2(OH)2R8] (X = halogen, R = organic group) structures, see: Baumeister et al. (2002[Baumeister, U., Dakternieks, D., Jurkschat, K. & Schürmann, M. (2002). Main Group Met. Chem. 26, 521-522.]); Beckmann et al. (2001[Beckmann, J., Jurkschat, K., Rabe, S., Schürmann, M. & Dakternieks, D. (2001). Z. Anorg. Allg. Chem. 627, 458-464.]); Cox & Tiekink (1994[Cox, M. J. & Tiekink, E. R. T. (1994). Z. Kristallogr. 209, 622-623.]); Kresinski et al. (1994[Kresinski, R. A., Staples, R. J. & Fackler, J. P. (1994). Acta Cryst. C50, 40-41.]); Lo & Ng (2009[Lo, K. M. & Ng, S. W. (2009). Acta Cryst. E65, m593.]); Mohamed et al. (2004[Mohamed, E. M., Panchanatheswaran, K., Low, J. N. & Glidewell, C. (2004). Acta Cryst. E60, m489-m491.]); Puff et al. (1983[Puff, H., Bung, I., Friedrichs, E. & Jansen, A. (1983). J. Organomet. Chem. 254, 23-32.]); Tiekink (1991[Tiekink, E. R. T. (1991). Acta Cryst. C47, 661-662.]); Vollano et al. (1984[Vollano, J. F., Day, R. O. & Holmes, R. R. (1984). Organometallics, 3, 745-750.]).

[Scheme 1]

Experimental

Crystal data
  • [Sn4Br2(C6H5)8O2(OH)2]

  • Mr = 1317.40

  • Triclinic, [P \overline 1]

  • a = 10.3759 (1) Å

  • b = 10.8247 (1) Å

  • c = 12.0341 (2) Å

  • α = 77.1809 (7)°

  • β = 65.4426 (7)°

  • γ = 75.2040 (7)°

  • V = 1178.26 (3) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 3.83 mm−1

  • T = 293 K

  • 0.25 × 0.25 × 0.25 mm

Data collection
  • Bruker SMART APEX diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.539, Tmax = 0.746

  • 10751 measured reflections

  • 5309 independent reflections

  • 4449 reflections with I > 2σ(I)

  • Rint = 0.028

Refinement
  • R[F2 > 2σ(F2)] = 0.042

  • wR(F2) = 0.160

  • S = 1.06

  • 5309 reflections

  • 262 parameters

  • H-atom parameters constrained

  • Δρmax = 2.39 e Å−3

  • Δρmin = −1.38 e Å−3

Table 1
Selected bond lengths (Å)

Sn1—O1i 2.068 (4)
Sn1—O1 2.095 (4)
Sn1—C1 2.117 (6)
Sn1—C7 2.120 (6)
Sn1—O2 2.171 (4)
Sn2—O1i 2.029 (4)
Sn2—C13 2.118 (7)
Sn2—C19 2.126 (7)
Sn2—O2 2.167 (4)
Sn2—Br1 2.6444 (9)
Symmetry code: (i) -x+1, -y+1, -z+1.

Data collection: APEX2 software (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2009[Westrip, S. P. (2009). publCIF. In preparation.]).

Supporting information


Related literature top

For other [Sn4X2(O)2(OH)2R8] (X = halogen, R = organic group) structures, see: Baumeister et al. (2002); Beckmann et al. (2001); Cox & Tiekink (1994); Kresinski et al. (1994); Lo & Ng (2009); Mohamed et al. (2004); Puff et al. (1983); Tiekink (1991); Vollano et al. (1984).

Experimental top

In an attempt to cleave a tin-carbon bond in a tetraorganotin compound, bis(3-methyl-2-thienyl)diphenyltin (0.47 g,1 mmol) and trimethylphenylammonium tribromide (0.38 g, 1 mmol) were heated in ethanol for three hours. Colourless blocks of (I) separated from solution after a few days.

Refinement top

Carbon- and oxygen-bound H-atoms were placed in calculated positions (C–H 0.93 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2U(C,O).

The final difference Fourier map had a peak near Sn1 and a hole near Sn2.

Computing details top

Data collection: APEX2 software (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).

Figures top
[Figure 1] Fig. 1. View of (I) at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. Unlabelled atoms are generated by the symmetry operation (1–x, 1–y, 1–z).
Dibromidodi-µ-hydroxido-di-µ3-oxido-octaphenyltetratin(IV) top
Crystal data top
[Sn4Br2(C6H5)8O2(OH)2]Z = 1
Mr = 1317.40F(000) = 632
Triclinic, P1Dx = 1.857 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.3759 (1) ÅCell parameters from 7354 reflections
b = 10.8247 (1) Åθ = 2.2–28.5°
c = 12.0341 (2) ŵ = 3.83 mm1
α = 77.1809 (7)°T = 293 K
β = 65.4426 (7)°Block, colourless
γ = 75.2040 (7)°0.25 × 0.25 × 0.25 mm
V = 1178.26 (3) Å3
Data collection top
Bruker SMART APEX
diffractometer
5309 independent reflections
Radiation source: fine-focus sealed tube4449 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
ω scansθmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1313
Tmin = 0.539, Tmax = 0.746k = 1413
10751 measured reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.160H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0952P)2 + 4.7584P]
where P = (Fo2 + 2Fc2)/3
5309 reflections(Δ/σ)max = 0.001
262 parametersΔρmax = 2.39 e Å3
0 restraintsΔρmin = 1.38 e Å3
Crystal data top
[Sn4Br2(C6H5)8O2(OH)2]γ = 75.2040 (7)°
Mr = 1317.40V = 1178.26 (3) Å3
Triclinic, P1Z = 1
a = 10.3759 (1) ÅMo Kα radiation
b = 10.8247 (1) ŵ = 3.83 mm1
c = 12.0341 (2) ÅT = 293 K
α = 77.1809 (7)°0.25 × 0.25 × 0.25 mm
β = 65.4426 (7)°
Data collection top
Bruker SMART APEX
diffractometer
5309 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
4449 reflections with I > 2σ(I)
Tmin = 0.539, Tmax = 0.746Rint = 0.028
10751 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0420 restraints
wR(F2) = 0.160H-atom parameters constrained
S = 1.06Δρmax = 2.39 e Å3
5309 reflectionsΔρmin = 1.38 e Å3
262 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.38584 (4)0.45011 (4)0.46172 (4)0.03147 (14)
Sn20.52171 (5)0.20525 (4)0.63535 (4)0.03495 (15)
Br10.70321 (9)0.23768 (8)0.72424 (7)0.0508 (2)
O10.4796 (5)0.6078 (4)0.4416 (4)0.0315 (8)
O20.3774 (5)0.2494 (4)0.5377 (4)0.0364 (9)
H2O0.33120.20220.53110.044*
C10.4869 (8)0.4083 (7)0.2777 (6)0.0437 (15)
C20.6000 (10)0.4680 (9)0.1951 (7)0.062 (2)
H20.62620.53030.21980.074*
C30.6748 (14)0.4366 (14)0.0765 (9)0.092 (4)
H30.75370.47390.02300.111*
C40.6308 (17)0.3499 (15)0.0393 (11)0.104 (5)
H40.67860.33030.04100.125*
C50.5169 (15)0.2913 (12)0.1190 (11)0.088 (4)
H50.48650.23380.09210.106*
C60.4471 (11)0.3183 (9)0.2404 (8)0.060 (2)
H60.37360.27530.29590.072*
C70.1737 (7)0.5207 (7)0.5813 (6)0.0379 (13)
C80.0633 (8)0.4546 (8)0.6167 (8)0.0524 (18)
H80.07820.38100.58190.063*
C90.0724 (10)0.4978 (12)0.7057 (10)0.075 (3)
H90.14850.45500.72840.090*
C100.0900 (10)0.6034 (13)0.7578 (9)0.082 (3)
H100.17800.62960.81960.098*
C110.0158 (11)0.6711 (12)0.7228 (11)0.084 (3)
H110.00080.74510.75760.100*
C120.1506 (9)0.6298 (9)0.6340 (8)0.0554 (19)
H120.22470.67540.61030.067*
C130.3559 (8)0.1680 (7)0.8092 (6)0.0453 (15)
C140.3843 (12)0.0721 (11)0.8954 (9)0.077 (3)
H140.47840.02860.88040.093*
C150.2745 (16)0.0389 (14)1.0052 (10)0.103 (4)
H150.29490.02821.06230.123*
C160.1375 (15)0.1039 (13)1.0295 (10)0.091 (4)
H160.06370.07961.10220.109*
C170.1077 (13)0.2043 (14)0.9484 (10)0.094 (4)
H170.01440.25120.96700.113*
C180.2175 (10)0.2370 (10)0.8367 (8)0.065 (2)
H180.19710.30560.78090.078*
C190.6770 (7)0.0737 (6)0.5153 (6)0.0388 (13)
C200.7810 (9)0.0145 (8)0.5494 (8)0.0527 (18)
H200.77870.02270.62880.063*
C210.8893 (9)0.0909 (9)0.4642 (9)0.062 (2)
H210.95780.15150.48790.074*
C220.8961 (9)0.0784 (8)0.3475 (9)0.059 (2)
H220.97050.12850.29110.071*
C230.7926 (9)0.0089 (8)0.3123 (8)0.0541 (19)
H230.79750.01770.23210.065*
C240.6816 (9)0.0834 (7)0.3962 (7)0.0495 (17)
H240.61010.13990.37320.059*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0317 (2)0.0315 (2)0.0317 (2)0.00616 (16)0.01214 (17)0.00462 (15)
Sn20.0381 (2)0.0287 (2)0.0345 (2)0.00560 (17)0.01235 (18)0.00091 (16)
Br10.0555 (4)0.0517 (4)0.0531 (4)0.0067 (3)0.0305 (3)0.0063 (3)
O10.033 (2)0.026 (2)0.036 (2)0.0070 (16)0.0157 (17)0.0008 (16)
O20.040 (2)0.030 (2)0.045 (2)0.0123 (18)0.0197 (19)0.0005 (17)
C10.055 (4)0.039 (3)0.033 (3)0.000 (3)0.017 (3)0.008 (3)
C20.068 (5)0.070 (6)0.040 (4)0.024 (5)0.006 (4)0.010 (4)
C30.104 (9)0.114 (10)0.041 (5)0.033 (8)0.002 (5)0.014 (5)
C40.127 (11)0.120 (11)0.050 (6)0.001 (9)0.019 (7)0.036 (6)
C50.123 (10)0.082 (7)0.080 (7)0.005 (7)0.055 (7)0.046 (6)
C60.069 (5)0.061 (5)0.061 (5)0.005 (4)0.032 (4)0.024 (4)
C70.031 (3)0.041 (3)0.038 (3)0.005 (3)0.012 (2)0.004 (3)
C80.039 (4)0.049 (4)0.066 (5)0.010 (3)0.017 (3)0.005 (3)
C90.044 (5)0.096 (8)0.077 (6)0.024 (5)0.016 (4)0.002 (6)
C100.044 (5)0.114 (9)0.061 (6)0.008 (5)0.006 (4)0.018 (6)
C110.058 (6)0.086 (8)0.090 (7)0.003 (5)0.001 (5)0.046 (6)
C120.042 (4)0.059 (5)0.060 (5)0.011 (4)0.007 (3)0.021 (4)
C130.051 (4)0.043 (4)0.038 (3)0.016 (3)0.010 (3)0.003 (3)
C140.075 (6)0.073 (6)0.059 (5)0.011 (5)0.019 (5)0.023 (5)
C150.110 (10)0.107 (10)0.058 (6)0.033 (8)0.015 (6)0.033 (6)
C160.101 (9)0.094 (8)0.049 (5)0.038 (7)0.010 (5)0.009 (5)
C170.069 (7)0.115 (10)0.065 (6)0.025 (7)0.016 (5)0.024 (7)
C180.058 (5)0.068 (6)0.053 (5)0.009 (4)0.009 (4)0.005 (4)
C190.036 (3)0.030 (3)0.050 (4)0.007 (3)0.016 (3)0.008 (3)
C200.054 (4)0.046 (4)0.060 (5)0.002 (3)0.025 (4)0.012 (3)
C210.051 (5)0.048 (5)0.087 (6)0.011 (4)0.031 (4)0.024 (4)
C220.040 (4)0.051 (5)0.081 (6)0.003 (3)0.013 (4)0.023 (4)
C230.054 (4)0.058 (5)0.048 (4)0.018 (4)0.009 (3)0.014 (3)
C240.052 (4)0.038 (4)0.055 (4)0.002 (3)0.019 (3)0.010 (3)
Geometric parameters (Å, º) top
Sn1—O1i2.068 (4)C9—H90.9300
Sn1—O12.095 (4)C10—C111.345 (16)
Sn1—C12.117 (6)C10—H100.9300
Sn1—C72.120 (6)C11—C121.396 (12)
Sn1—O22.171 (4)C11—H110.9300
Sn2—O1i2.029 (4)C12—H120.9300
Sn2—C132.118 (7)C13—C141.365 (11)
Sn2—C192.126 (7)C13—C181.377 (12)
Sn2—O22.167 (4)C14—C151.385 (14)
Sn2—Br12.6444 (9)C14—H140.9300
O1—Sn2i2.029 (4)C15—C161.355 (18)
O1—Sn1i2.068 (4)C15—H150.9300
O2—H2O0.8200C16—C171.356 (19)
C1—C61.369 (11)C16—H160.9300
C1—C21.384 (11)C17—C181.397 (13)
C2—C31.384 (12)C17—H170.9300
C2—H20.9300C18—H180.9300
C3—C41.365 (19)C19—C201.383 (10)
C3—H30.9300C19—C241.394 (11)
C4—C51.37 (2)C20—C211.393 (11)
C4—H40.9300C20—H200.9300
C5—C61.395 (13)C21—C221.355 (13)
C5—H50.9300C21—H210.9300
C6—H60.9300C22—C231.381 (12)
C7—C121.384 (10)C22—H220.9300
C7—C81.373 (10)C23—C241.385 (11)
C8—C91.407 (12)C23—H230.9300
C8—H80.9300C24—H240.9300
C9—C101.360 (16)
O1i—Sn1—O173.05 (18)C9—C8—H8119.9
O1i—Sn1—C1113.5 (2)C10—C9—C8118.7 (9)
O1—Sn1—C198.9 (2)C10—C9—H9120.6
O1i—Sn1—C7109.8 (2)C8—C9—H9120.6
O1—Sn1—C798.4 (2)C11—C10—C9122.1 (9)
C1—Sn1—C7136.4 (3)C11—C10—H10118.9
O1i—Sn1—O272.57 (17)C9—C10—H10118.9
O1—Sn1—O2145.58 (17)C10—C11—C12119.7 (10)
C1—Sn1—O293.1 (2)C10—C11—H11120.2
C7—Sn1—O294.7 (2)C12—C11—H11120.2
O1i—Sn2—C13116.9 (2)C7—C12—C11119.8 (8)
O1i—Sn2—C19113.2 (2)C7—C12—H12120.1
C13—Sn2—C19129.4 (3)C11—C12—H12120.1
O1i—Sn2—O273.38 (17)C14—C13—C18118.6 (8)
C13—Sn2—O293.3 (2)C14—C13—Sn2120.1 (7)
C19—Sn2—O294.0 (2)C18—C13—Sn2121.3 (6)
O1i—Sn2—Br186.33 (12)C13—C14—C15120.8 (10)
C13—Sn2—Br195.6 (2)C13—C14—H14119.6
C19—Sn2—Br194.25 (18)C15—C14—H14119.6
O2—Sn2—Br1159.71 (12)C16—C15—C14120.1 (11)
Sn2i—O1—Sn1i111.45 (19)C16—C15—H15120.0
Sn2i—O1—Sn1141.6 (2)C14—C15—H15120.0
Sn1i—O1—Sn1106.95 (18)C17—C16—C15120.3 (10)
Sn2—O2—Sn1102.60 (18)C17—C16—H16119.9
Sn2—O2—H2O128.7C15—C16—H16119.9
Sn1—O2—H2O128.7C16—C17—C18119.8 (12)
C6—C1—C2119.3 (7)C16—C17—H17120.1
C6—C1—Sn1121.1 (6)C18—C17—H17120.1
C2—C1—Sn1119.5 (6)C13—C18—C17120.2 (10)
C3—C2—C1121.1 (9)C13—C18—H18119.9
C3—C2—H2119.5C17—C18—H18119.9
C1—C2—H2119.5C20—C19—C24119.3 (7)
C4—C3—C2119.0 (11)C20—C19—Sn2121.2 (5)
C4—C3—H3120.5C24—C19—Sn2119.4 (5)
C2—C3—H3120.5C19—C20—C21119.6 (8)
C3—C4—C5120.9 (10)C19—C20—H20120.2
C3—C4—H4119.6C21—C20—H20120.2
C5—C4—H4119.6C22—C21—C20121.0 (8)
C4—C5—C6119.7 (11)C22—C21—H21119.5
C4—C5—H5120.1C20—C21—H21119.5
C6—C5—H5120.1C21—C22—C23119.9 (8)
C1—C6—C5119.9 (10)C21—C22—H22120.0
C1—C6—H6120.0C23—C22—H22120.0
C5—C6—H6120.0C24—C23—C22120.1 (8)
C12—C7—C8119.5 (7)C24—C23—H23119.9
C12—C7—Sn1118.4 (5)C22—C23—H23119.9
C8—C7—Sn1121.8 (5)C23—C24—C19120.0 (7)
C7—C8—C9120.1 (9)C23—C24—H24120.0
C7—C8—H8119.9C19—C24—H24120.0
O1i—Sn1—O1—Sn2i177.8 (5)C12—C7—C8—C90.2 (12)
C1—Sn1—O1—Sn2i70.2 (4)Sn1—C7—C8—C9173.6 (7)
C7—Sn1—O1—Sn2i69.5 (4)C7—C8—C9—C101.9 (15)
O2—Sn1—O1—Sn2i179.3 (3)C8—C9—C10—C113.2 (19)
O1i—Sn1—O1—Sn1i0.0C9—C10—C11—C123 (2)
C1—Sn1—O1—Sn1i112.0 (2)C8—C7—C12—C110.2 (13)
C7—Sn1—O1—Sn1i108.2 (2)Sn1—C7—C12—C11173.4 (8)
O2—Sn1—O1—Sn1i2.9 (4)C10—C11—C12—C71.0 (17)
O1i—Sn2—O2—Sn10.23 (16)O1i—Sn2—C13—C14143.7 (8)
C13—Sn2—O2—Sn1116.9 (3)C19—Sn2—C13—C1445.3 (9)
C19—Sn2—O2—Sn1113.2 (2)O2—Sn2—C13—C14143.2 (8)
Br1—Sn2—O2—Sn10.7 (5)Br1—Sn2—C13—C1455.0 (8)
O1i—Sn1—O2—Sn20.23 (16)O1i—Sn2—C13—C1837.9 (8)
O1—Sn1—O2—Sn23.2 (4)C19—Sn2—C13—C18133.2 (7)
C1—Sn1—O2—Sn2113.9 (3)O2—Sn2—C13—C1835.2 (7)
C7—Sn1—O2—Sn2109.1 (2)Br1—Sn2—C13—C18126.6 (7)
O1i—Sn1—C1—C6112.1 (6)C18—C13—C14—C154.3 (17)
O1—Sn1—C1—C6172.6 (6)Sn2—C13—C14—C15174.2 (11)
C7—Sn1—C1—C660.4 (8)C13—C14—C15—C162 (2)
O2—Sn1—C1—C639.7 (7)C14—C15—C16—C172 (2)
O1i—Sn1—C1—C264.6 (7)C15—C16—C17—C183 (2)
O1—Sn1—C1—C210.7 (7)C14—C13—C18—C173.3 (16)
C7—Sn1—C1—C2122.9 (7)Sn2—C13—C18—C17175.2 (9)
O2—Sn1—C1—C2137.0 (7)C16—C17—C18—C130.3 (19)
C6—C1—C2—C31.1 (15)O1i—Sn2—C19—C20123.9 (6)
Sn1—C1—C2—C3175.6 (9)C13—Sn2—C19—C2064.8 (7)
C1—C2—C3—C43.3 (19)O2—Sn2—C19—C20162.4 (6)
C2—C3—C4—C52 (2)Br1—Sn2—C19—C2036.1 (6)
C3—C4—C5—C61 (2)O1i—Sn2—C19—C2450.8 (6)
C2—C1—C6—C52.4 (13)C13—Sn2—C19—C24120.5 (6)
Sn1—C1—C6—C5179.1 (8)O2—Sn2—C19—C2422.9 (6)
C4—C5—C6—C13.7 (17)Br1—Sn2—C19—C24138.6 (6)
O1i—Sn1—C7—C1263.6 (6)C24—C19—C20—C210.7 (12)
O1—Sn1—C7—C1211.3 (6)Sn2—C19—C20—C21174.0 (6)
C1—Sn1—C7—C12123.7 (6)C19—C20—C21—C221.4 (14)
O2—Sn1—C7—C12136.8 (6)C20—C21—C22—C231.7 (14)
O1i—Sn1—C7—C8109.8 (6)C21—C22—C23—C240.2 (13)
O1—Sn1—C7—C8175.3 (6)C22—C23—C24—C192.3 (12)
C1—Sn1—C7—C862.9 (7)C20—C19—C24—C232.5 (12)
O2—Sn1—C7—C836.7 (6)Sn2—C19—C24—C23172.3 (6)
Symmetry code: (i) x+1, y+1, z+1.

Experimental details

Crystal data
Chemical formula[Sn4Br2(C6H5)8O2(OH)2]
Mr1317.40
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)10.3759 (1), 10.8247 (1), 12.0341 (2)
α, β, γ (°)77.1809 (7), 65.4426 (7), 75.2040 (7)
V3)1178.26 (3)
Z1
Radiation typeMo Kα
µ (mm1)3.83
Crystal size (mm)0.25 × 0.25 × 0.25
Data collection
DiffractometerBruker SMART APEX
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.539, 0.746
No. of measured, independent and
observed [I > 2σ(I)] reflections
10751, 5309, 4449
Rint0.028
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.042, 0.160, 1.06
No. of reflections5309
No. of parameters262
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)2.39, 1.38

Computer programs: APEX2 software (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2009).

Selected bond lengths (Å) top
Sn1—O1i2.068 (4)Sn2—O1i2.029 (4)
Sn1—O12.095 (4)Sn2—C132.118 (7)
Sn1—C12.117 (6)Sn2—C192.126 (7)
Sn1—C72.120 (6)Sn2—O22.167 (4)
Sn1—O22.171 (4)Sn2—Br12.6444 (9)
Symmetry code: (i) x+1, y+1, z+1.
 

Acknowledgements

We thank the University of Malaya (grant No. RG020/09AFR) for supporting this study.

References

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