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The title compound, [Sn(CH3)3(C8H5Cl2O2)]n, forms polymeric chains involving both O atoms of the carboxyl­ate group. The coordination geometry of the Sn atom is slightly distorted trigonal bipyramidal. The three methyl groups occupy the equatorial positions, with Sn—C bond lengths in the range 2.103 (8)–2.118 (7) Å. The two O atoms are situated in the axial positions, with Sn—O distances of 2.189 (4) Å and 2.369 (5) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680503638X/hg6259sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680503638X/hg6259Isup2.hkl
Contains datablock I

CCDC reference: 293909

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.043
  • wR factor = 0.055
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 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 C8 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 14
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 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 4 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: local program; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: RAELS (Rae, 1996); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: local programs.

catena-Poly[trimethyltin(IV)-µ-3,4-dichlorophenylacetato] top
Crystal data top
[Sn(CH3)3(C8H5Cl2O2)]F(000) = 1440.0
Mr = 367.8Dx = 1.69 Mg m3
Monoclinic, C2/cMelting point: 388 K
Hall symbol: -C 2ycMo Kα radiation, λ = 0.71073 Å
a = 12.660 (3) ÅCell parameters from 10 reflections
b = 9.801 (1) Åθ = 11–12°
c = 23.462 (5) ŵ = 2.13 mm1
β = 96.01 (1)°T = 294 K
V = 2895 (1) Å3Lath, colourless
Z = 80.30 × 0.15 × 0.03 mm
Data collection top
Enraf–Nonius CAD-4
diffractometer
Rint = 0.017
ω–2θ scansθmax = 25°
Absorption correction: analytical
(de Meulenaer & Tompa, 1965)
h = 1515
Tmin = 0.64, Tmax = 0.87k = 011
2619 measured reflectionsl = 027
2550 independent reflections1 standard reflections every 30 min
2012 reflections with I > 2σ(I) intensity decay: 12%
Refinement top
Refinement on FH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.043 w = 1/[σ2(F) + 0.0004F2]
wR(F2) = 0.055(Δ/σ)max = 0.011
S = 1.79Δρmax = 0.97 e Å3
2012 reflectionsΔρmin = 1.05 e Å3
146 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.28730 (4)0.42718 (4)0.22559 (2)0.0470 (2)
Cl10.6342 (3)0.2617 (4)0.0433 (1)0.137 (1)
Cl20.5009 (3)0.2591 (3)0.0775 (1)0.127 (1)
O10.3152 (4)0.2702 (4)0.1625 (2)0.056 (1)
O20.2408 (5)0.1145 (5)0.2121 (2)0.063 (1)
C10.3624 (8)0.5717 (7)0.1766 (4)0.073 (2)
C20.3794 (6)0.3329 (8)0.2953 (3)0.060 (2)
C30.1208 (6)0.4127 (8)0.2129 (4)0.076 (3)
C40.2873 (6)0.1491 (7)0.1709 (3)0.051 (2)
C50.3137 (7)0.0404 (7)0.1285 (3)0.070 (2)
C60.3631 (6)0.0912 (6)0.0765 (3)0.056 (2)
C70.4636 (7)0.1466 (9)0.0810 (3)0.067 (2)
C80.5068 (7)0.1944 (8)0.0347 (4)0.071 (2)
C90.4497 (8)0.1905 (8)0.0191 (3)0.071 (2)
C100.3497 (8)0.1341 (10)0.0249 (4)0.083 (3)
C110.3060 (7)0.0816 (8)0.0226 (4)0.070 (2)
H1C10.31000.60770.14540.073
H2C10.39020.64860.20190.073
H3C10.42270.52720.15940.073
H1C20.45630.35290.29300.060
H2C20.35770.36930.33210.060
H3C20.36760.23210.29360.060
H1C30.09620.34070.23870.076
H2C30.08870.50240.22190.076
H3C30.09820.38800.17210.076
H1C50.24640.00820.11470.070
H2C50.36450.02530.14930.070
HC70.50560.15150.11950.067
HC100.30800.13080.06350.083
HC110.23440.03750.01800.070
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0491 (3)0.0424 (3)0.0523 (3)0.0009 (2)0.0186 (2)0.0037 (2)
Cl10.120 (2)0.175 (3)0.123 (2)0.087 (2)0.052 (2)0.048 (2)
Cl20.198 (3)0.112 (2)0.080 (2)0.042 (2)0.065 (2)0.007 (2)
O10.073 (3)0.038 (3)0.062 (3)0.005 (2)0.027 (3)0.001 (2)
O20.081 (4)0.046 (3)0.066 (3)0.006 (3)0.032 (3)0.003 (2)
C10.090 (6)0.056 (5)0.083 (6)0.000 (4)0.046 (5)0.011 (4)
C20.053 (4)0.063 (5)0.064 (4)0.005 (4)0.006 (4)0.002 (4)
C30.045 (4)0.082 (6)0.103 (7)0.006 (4)0.014 (4)0.015 (5)
C40.056 (4)0.049 (4)0.051 (4)0.004 (3)0.017 (3)0.001 (3)
C50.104 (7)0.045 (5)0.067 (5)0.018 (4)0.036 (5)0.007 (4)
C60.074 (5)0.036 (4)0.062 (4)0.004 (3)0.026 (4)0.007 (3)
C70.078 (6)0.067 (5)0.057 (5)0.021 (4)0.020 (4)0.017 (4)
C80.080 (6)0.061 (5)0.076 (5)0.030 (4)0.030 (4)0.020 (4)
C90.110 (7)0.057 (5)0.052 (4)0.011 (5)0.031 (5)0.004 (4)
C100.099 (7)0.082 (6)0.066 (5)0.009 (6)0.001 (5)0.004 (5)
C110.075 (5)0.070 (5)0.070 (5)0.014 (4)0.024 (4)0.012 (4)
Geometric parameters (Å, º) top
Sn1—O12.189 (4)C3—H1C31.000
Sn1—O2i2.396 (5)C3—H2C31.000
Sn1—C12.112 (7)C3—H3C31.000
Sn1—C22.118 (7)C4—C51.519 (10)
Sn1—C32.103 (8)C5—C61.513 (10)
Cl1—C81.735 (8)C5—H1C51.000
Cl2—C91.714 (7)C5—H2C51.000
O1—C41.259 (7)C6—C71.377 (10)
O2—Sn1ii2.396 (5)C6—C111.392 (11)
O2—C41.231 (7)C7—C81.351 (10)
C1—H1C11.000C7—HC71.000
C1—H2C11.000C8—C91.388 (11)
C1—H3C11.000C9—C101.375 (12)
C2—H1C21.000C10—C111.394 (11)
C2—H2C21.000C10—HC101.000
C2—H3C21.000C11—HC111.000
O1—Sn1—O2i174.7 (2)H2C3—C3—H3C3109.5
O1—Sn1—C189.4 (3)O1—C4—O2123.1 (7)
O1—Sn1—C295.8 (2)O1—C4—C5118.3 (6)
O1—Sn1—C395.0 (3)O2—C4—C5118.5 (6)
O2i—Sn1—C185.5 (3)C4—C5—C6115.8 (6)
O2i—Sn1—C288.2 (2)C4—C5—H1C5107.9
O2i—Sn1—C385.8 (3)C4—C5—H2C5107.9
C1—Sn1—C2118.0 (3)C6—C5—H1C5107.9
C1—Sn1—C3118.1 (4)C6—C5—H2C5107.9
C2—Sn1—C3122.8 (3)H1C5—C5—H2C5109.5
Sn1—O1—C4119.3 (4)C5—C6—C7121.6 (7)
Sn1ii—O2—C4143.5 (5)C5—C6—C11119.4 (7)
Sn1—C1—H1C1109.5C7—C6—C11119.0 (7)
Sn1—C1—H2C1109.5C6—C7—C8121.5 (7)
Sn1—C1—H3C1109.5C6—C7—HC7119.2
H1C1—C1—H2C1109.5C8—C7—HC7119.2
H1C1—C1—H3C1109.5Cl1—C8—C7119.2 (7)
H2C1—C1—H3C1109.5Cl1—C8—C9120.4 (6)
Sn1—C2—H1C2109.5C7—C8—C9120.3 (8)
Sn1—C2—H2C2109.5Cl2—C9—C8120.8 (7)
Sn1—C2—H3C2109.5Cl2—C9—C10119.9 (7)
H1C2—C2—H2C2109.5C8—C9—C10119.3 (7)
H1C2—C2—H3C2109.5C9—C10—C11120.5 (8)
H2C2—C2—H3C2109.5C9—C10—HC10119.8
Sn1—C3—H1C3109.5C11—C10—HC10119.8
Sn1—C3—H2C3109.5C6—C11—C10119.3 (7)
Sn1—C3—H3C3109.5C6—C11—HC11120.3
H1C3—C3—H2C3109.5C10—C11—HC11120.3
H1C3—C3—H3C3109.5
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) x+1/2, y1/2, z+1/2.
 

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