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The structure of the title compound, [Sn(CH3)3(C14H23O2)]n, consists of a one-dimensional polymeric chain, containing tin centers in a trigonal–bipyramidal environment and bridging carboxyl­ate anions. The two O atoms of the 2,2-dicyclo­hexyl­acetate anion occupy the axial positions, while the three C atoms of the methyl groups are in equatorial sites.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806053967/hk2175sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806053967/hk2175Isup2.hkl
Contains datablock I

CCDC reference: 283466

Key indicators

  • Single-crystal X-ray study
  • T = 110 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.037
  • wR factor = 0.103
  • Data-to-parameter ratio = 20.6

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT128_ALERT_4_C Non-standard setting of Space group P21/c .... P21/a
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: mar345 (Klein, 1998); cell refinement: MARHKL (Klein & Bartels, 2000); data reduction: MARHKL; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1998); software used to prepare material for publication: SHELXL97.

(2,2-Dicyclohexylacetato)trimethyltin(IV) top
Crystal data top
[Sn(CH3)3(C14H23O2)]F(000) = 800
Mr = 387.12Dx = 1.400 Mg m3
Monoclinic, P21/aMo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2yabCell parameters from all reflections
a = 9.488 (4) Åθ = 3.0–26.5°
b = 10.894 (5) ŵ = 1.39 mm1
c = 17.871 (7) ÅT = 110 K
β = 96.03 (2)°Parallelepiped, colorless
V = 1837.0 (14) Å30.30 × 0.20 × 0.20 mm
Z = 4
Data collection top
Marresearch MAR345 image-plate
diffractometer
3596 reflections with I > 2σ(I)
Radiation source: RU200 rotating anodeRint = 0.044
Graphite monochromatorθmax = 26.4°, θmin = 2.9°
Detector resolution: 6.66 pixels mm-1h = 011
φ scansk = 013
13602 measured reflectionsl = 2222
3747 independent reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037H-atom parameters constrained
wR(F2) = 0.103 w = 1/[σ2(Fo2) + 5.4207P]
where P = (Fo2 + 2Fc2)/3
S = 1.25(Δ/σ)max = 0.001
3747 reflectionsΔρmax = 0.82 e Å3
182 parametersΔρmin = 0.82 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0241 (13)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn0.41588 (2)0.32914 (2)0.249318 (13)0.01528 (14)
O10.2339 (3)0.1696 (2)0.25150 (16)0.0165 (5)
O20.5699 (2)0.4763 (2)0.24681 (14)0.0166 (5)
C10.1998 (4)0.0584 (3)0.24930 (18)0.0151 (6)
C20.3100 (3)0.0428 (3)0.24994 (19)0.0149 (6)
H20.40420.00220.24870.018*
C30.2826 (4)0.1204 (3)0.17720 (19)0.0159 (7)
H30.18710.15940.17680.019*
C40.2818 (4)0.0401 (3)0.1067 (2)0.0219 (7)
H4A0.20790.02390.10770.026*
H4B0.37450.00160.10710.026*
C50.2533 (4)0.1146 (4)0.0341 (2)0.0260 (8)
H5A0.15630.14890.03070.031*
H5B0.25920.05980.00970.031*
C60.3602 (5)0.2192 (4)0.0314 (2)0.0287 (9)
H6A0.33430.27010.01380.034*
H6B0.45580.18470.02790.034*
C70.3628 (4)0.2989 (4)0.1016 (2)0.0256 (8)
H7A0.43670.36280.10020.031*
H7B0.27020.34070.10200.031*
C80.3929 (4)0.2232 (3)0.1736 (2)0.0206 (7)
H8A0.48870.18660.17530.025*
H8B0.39120.27750.21790.025*
C90.3177 (3)0.1198 (3)0.32347 (19)0.0156 (7)
H90.40710.16890.32550.019*
C100.1968 (4)0.2120 (3)0.3277 (2)0.0187 (7)
H10A0.10570.16750.32700.022*
H10B0.19100.26690.28330.022*
C110.2218 (4)0.2887 (4)0.3997 (2)0.0232 (8)
H11A0.14330.34810.40150.028*
H11B0.31110.33560.39940.028*
C120.2307 (4)0.2067 (4)0.4693 (2)0.0273 (8)
H12A0.13890.16440.47170.033*
H12B0.24960.25770.51510.033*
C130.3480 (4)0.1116 (4)0.4671 (2)0.0245 (8)
H13A0.44110.15350.47210.029*
H13B0.34600.05480.51030.029*
C140.3309 (4)0.0379 (3)0.3936 (2)0.0206 (7)
H14A0.24540.01430.39280.025*
H14B0.41380.01690.39210.025*
C150.2467 (4)0.4579 (4)0.2477 (3)0.0364 (11)
H15A0.21640.48190.19570.044*
H15B0.27890.53060.27690.044*
H15C0.16690.42030.26990.044*
C160.4527 (5)0.2600 (4)0.1426 (2)0.0286 (9)
H16A0.40040.30950.10320.034*
H16B0.42060.17460.13810.034*
H16C0.55430.26390.13710.034*
C170.4938 (5)0.2677 (4)0.3579 (2)0.0296 (9)
H17A0.45620.31990.39580.036*
H17B0.59760.27200.36380.036*
H17C0.46390.18260.36460.036*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn0.01284 (17)0.01371 (18)0.01940 (18)0.00039 (8)0.00216 (10)0.00034 (8)
O10.0126 (12)0.0110 (12)0.0263 (13)0.0000 (8)0.0039 (10)0.0006 (9)
O20.0115 (11)0.0139 (12)0.0243 (13)0.0024 (9)0.0024 (9)0.0002 (9)
C10.0144 (15)0.0181 (16)0.0130 (15)0.0005 (13)0.0021 (12)0.0008 (12)
C20.0115 (14)0.0143 (15)0.0191 (16)0.0001 (12)0.0020 (12)0.0007 (13)
C30.0162 (16)0.0155 (16)0.0164 (16)0.0012 (13)0.0026 (12)0.0001 (13)
C40.0256 (18)0.0221 (18)0.0188 (17)0.0027 (15)0.0055 (14)0.0015 (14)
C50.030 (2)0.030 (2)0.0182 (18)0.0023 (16)0.0022 (15)0.0005 (15)
C60.031 (2)0.036 (2)0.0200 (18)0.0040 (18)0.0060 (15)0.0068 (16)
C70.0261 (19)0.0217 (18)0.029 (2)0.0053 (16)0.0034 (15)0.0058 (16)
C80.0199 (17)0.0211 (18)0.0209 (17)0.0056 (14)0.0024 (13)0.0029 (14)
C90.0148 (16)0.0157 (16)0.0162 (16)0.0004 (12)0.0013 (12)0.0015 (12)
C100.0178 (17)0.0178 (17)0.0201 (17)0.0007 (13)0.0003 (13)0.0019 (14)
C110.0200 (18)0.0237 (19)0.0256 (19)0.0006 (15)0.0009 (14)0.0069 (15)
C120.025 (2)0.037 (2)0.0211 (18)0.0001 (17)0.0055 (15)0.0082 (17)
C130.0251 (19)0.031 (2)0.0165 (17)0.0006 (16)0.0003 (14)0.0012 (15)
C140.0244 (18)0.0191 (17)0.0177 (17)0.0004 (14)0.0006 (13)0.0020 (14)
C150.0149 (18)0.0186 (19)0.076 (3)0.0054 (15)0.0081 (19)0.000 (2)
C160.039 (2)0.031 (2)0.0154 (17)0.0143 (18)0.0048 (15)0.0045 (15)
C170.036 (2)0.036 (2)0.0154 (17)0.0169 (18)0.0012 (15)0.0054 (15)
Geometric parameters (Å, º) top
Sn—C172.112 (4)C8—H8B0.9900
Sn—C162.113 (4)C9—C101.533 (5)
Sn—C152.130 (4)C9—C141.533 (5)
Sn—O22.173 (2)C9—H91.0000
Sn—O12.453 (3)C10—C111.532 (5)
O1—C11.254 (4)C10—H10A0.9900
O2—C1i1.285 (4)C10—H10B0.9900
C1—O2ii1.285 (4)C11—C121.527 (6)
C1—C21.519 (4)C11—H11A0.9900
C2—C31.549 (5)C11—H11B0.9900
C2—C91.554 (5)C12—C131.524 (6)
C2—H21.0000C12—H12A0.9900
C3—C41.534 (5)C12—H12B0.9900
C3—C81.539 (5)C13—C141.533 (5)
C3—H31.0000C13—H13A0.9900
C4—C51.530 (5)C13—H13B0.9900
C4—H4A0.9900C14—H14A0.9900
C4—H4B0.9900C14—H14B0.9900
C5—C61.529 (6)C15—H15A0.9800
C5—H5A0.9900C15—H15B0.9800
C5—H5B0.9900C15—H15C0.9800
C6—C71.524 (6)C16—H16A0.9800
C6—H6A0.9900C16—H16B0.9800
C6—H6B0.9900C16—H16C0.9800
C7—C81.529 (5)C17—H17A0.9800
C7—H7A0.9900C17—H17B0.9800
C7—H7B0.9900C17—H17C0.9800
C8—H8A0.9900
C17—Sn—C16129.87 (18)H8A—C8—H8B108.0
C17—Sn—C15114.3 (2)C10—C9—C14109.8 (3)
C16—Sn—C15114.8 (2)C10—C9—C2115.2 (3)
C17—Sn—O294.67 (13)C14—C9—C2111.7 (3)
C16—Sn—O293.95 (13)C10—C9—H9106.5
C15—Sn—O291.24 (14)C14—C9—H9106.5
C17—Sn—O186.56 (13)C2—C9—H9106.5
C16—Sn—O186.86 (13)C11—C10—C9110.4 (3)
C15—Sn—O186.33 (14)C11—C10—H10A109.6
O2—Sn—O1177.56 (8)C9—C10—H10A109.6
C1—O1—Sn149.8 (2)C11—C10—H10B109.6
C1i—O2—Sn115.3 (2)C9—C10—H10B109.6
O1—C1—O2ii121.9 (3)H10A—C10—H10B108.1
O1—C1—C2121.7 (3)C12—C11—C10110.8 (3)
O2ii—C1—C2116.3 (3)C12—C11—H11A109.5
C1—C2—C3109.6 (3)C10—C11—H11A109.5
C1—C2—C9111.7 (3)C12—C11—H11B109.5
C3—C2—C9113.8 (3)C10—C11—H11B109.5
C1—C2—H2107.1H11A—C11—H11B108.1
C3—C2—H2107.1C13—C12—C11110.8 (3)
C9—C2—H2107.1C13—C12—H12A109.5
C4—C3—C8109.0 (3)C11—C12—H12A109.5
C4—C3—C2111.4 (3)C13—C12—H12B109.5
C8—C3—C2112.2 (3)C11—C12—H12B109.5
C4—C3—H3108.1H12A—C12—H12B108.1
C8—C3—H3108.1C12—C13—C14111.4 (3)
C2—C3—H3108.1C12—C13—H13A109.3
C5—C4—C3112.3 (3)C14—C13—H13A109.3
C5—C4—H4A109.1C12—C13—H13B109.3
C3—C4—H4A109.1C14—C13—H13B109.3
C5—C4—H4B109.1H13A—C13—H13B108.0
C3—C4—H4B109.1C9—C14—C13112.9 (3)
H4A—C4—H4B107.9C9—C14—H14A109.0
C6—C5—C4111.2 (3)C13—C14—H14A109.0
C6—C5—H5A109.4C9—C14—H14B109.0
C4—C5—H5A109.4C13—C14—H14B109.0
C6—C5—H5B109.4H14A—C14—H14B107.8
C4—C5—H5B109.4Sn—C15—H15A109.5
H5A—C5—H5B108.0Sn—C15—H15B109.5
C7—C6—C5110.7 (3)H15A—C15—H15B109.5
C7—C6—H6A109.5Sn—C15—H15C109.5
C5—C6—H6A109.5H15A—C15—H15C109.5
C7—C6—H6B109.5H15B—C15—H15C109.5
C5—C6—H6B109.5Sn—C16—H16A109.5
H6A—C6—H6B108.1Sn—C16—H16B109.5
C6—C7—C8111.7 (3)H16A—C16—H16B109.5
C6—C7—H7A109.3Sn—C16—H16C109.5
C8—C7—H7A109.3H16A—C16—H16C109.5
C6—C7—H7B109.3H16B—C16—H16C109.5
C8—C7—H7B109.3Sn—C17—H17A109.5
H7A—C7—H7B107.9Sn—C17—H17B109.5
C7—C8—C3111.1 (3)H17A—C17—H17B109.5
C7—C8—H8A109.4Sn—C17—H17C109.5
C3—C8—H8A109.4H17A—C17—H17C109.5
C7—C8—H8B109.4H17B—C17—H17C109.5
C3—C8—H8B109.4
C17—Sn—O1—C171.3 (5)C3—C4—C5—C655.9 (4)
C16—Sn—O1—C159.0 (5)C4—C5—C6—C754.2 (5)
C15—Sn—O1—C1174.1 (5)C5—C6—C7—C855.5 (4)
C17—Sn—O2—C1i63.5 (3)C6—C7—C8—C357.5 (4)
C16—Sn—O2—C1i67.0 (3)C4—C3—C8—C756.7 (4)
C15—Sn—O2—C1i178.0 (3)C2—C3—C8—C7179.5 (3)
Sn—O1—C1—O2ii173.9 (3)C1—C2—C9—C1076.3 (4)
Sn—O1—C1—C26.5 (7)C3—C2—C9—C1048.5 (4)
O1—C1—C2—C3119.7 (3)C1—C2—C9—C1449.9 (4)
O2ii—C1—C2—C360.7 (4)C3—C2—C9—C14174.6 (3)
O1—C1—C2—C9113.2 (4)C14—C9—C10—C1157.1 (4)
O2ii—C1—C2—C966.4 (4)C2—C9—C10—C11175.8 (3)
C1—C2—C3—C456.3 (4)C9—C10—C11—C1259.5 (4)
C9—C2—C3—C4177.8 (3)C10—C11—C12—C1357.5 (4)
C1—C2—C3—C8178.8 (3)C11—C12—C13—C1453.8 (4)
C9—C2—C3—C855.4 (4)C10—C9—C14—C1354.5 (4)
C8—C3—C4—C556.4 (4)C2—C9—C14—C13176.5 (3)
C2—C3—C4—C5179.4 (3)C12—C13—C14—C953.2 (4)
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x1/2, y+1/2, z.
 

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