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The structure of the title compound, [Sn(C6H5)3(OH)]n, has been re-investigated at 120 (2) K. The hydroxyl H atom was readily located and the threefold coordination about the O atom is planar. There are no hydrogen bonds involving the hydroxyl group, either as donor or as acceptor.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102001798/sk1536sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102001798/sk1536Isup2.hkl
Contains datablock I

CCDC reference: 184453

Computing details top

Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2002); software used to prepare material for publication: SHELXL97 and PRPKAPPA (Ferguson, 1999).

catena-Poly[[triphenyltin(IV)]-µ-hydroxo-κ2O:O] top
Crystal data top
[Sn(C6H5)3OH]F(000) = 728
Mr = 367.00Dx = 1.632 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 3376 reflections
a = 8.2573 (2) Åθ = 3.0–27.5°
b = 10.2229 (2) ŵ = 1.70 mm1
c = 17.6996 (5) ÅT = 120 K
V = 1494.09 (6) Å3Block, colourless
Z = 40.40 × 0.22 × 0.20 mm
Data collection top
Nonius KappaCCD area-detector
diffractometer
3376 independent reflections
Radiation source: fine-focus sealed X-ray tube3120 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.062
φ scans, and ω scans with κ offsetsθmax = 27.5°, θmin = 3.0°
Absorption correction: multi-scan
(DENZO-SMN; Otwinowski & Minor, 1997)
h = 910
Tmin = 0.554, Tmax = 0.712k = 1311
10366 measured reflectionsl = 1822
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)] = 0.025H-atom parameters constrained
wR(F2) = 0.060 w = 1/[σ2(Fo2) + (0.0221P)2 + 1.0158P]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max = 0.001
3376 reflectionsΔρmax = 0.68 e Å3
181 parametersΔρmin = 1.06 e Å3
0 restraintsAbsolute structure: Flack (1983), 1408 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.01 (3)
Special details top

Experimental. The program DENZO-SMN (Otwinowski & Minor, 1997) uses a scaling algorithm [Fox, G. C. & Holmes, K. C. (1966). Acta Cryst. 20, 886–891] which effectively corrects for absorption effects. High-redundancy data were used in the scaling program, hence the `multi-scan' code word was used.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.565990 (18)0.247677 (16)0.003450 (8)0.01350 (7)
C110.6051 (3)0.1461 (3)0.10708 (16)0.0187 (6)
C120.7054 (4)0.0355 (3)0.10904 (18)0.0238 (7)
C130.7341 (4)0.0293 (3)0.1767 (2)0.0317 (8)
C140.6675 (4)0.0145 (4)0.2428 (2)0.0391 (9)
C150.5652 (4)0.1226 (3)0.24182 (18)0.0347 (8)
C160.5352 (4)0.1866 (3)0.17407 (17)0.0273 (7)
C260.4913 (3)0.0019 (3)0.08508 (18)0.0244 (7)
C210.4901 (3)0.1339 (3)0.09059 (16)0.0169 (6)
C220.4456 (4)0.1906 (3)0.15902 (16)0.0253 (6)
C230.3999 (4)0.1134 (4)0.21958 (18)0.0354 (8)
C240.3995 (4)0.0221 (4)0.2130 (2)0.0395 (9)
C250.4458 (4)0.0788 (3)0.14645 (19)0.0329 (8)
C310.6261 (3)0.4483 (3)0.01089 (17)0.0177 (5)
C320.5807 (4)0.5435 (3)0.04118 (19)0.0290 (7)
C330.6265 (4)0.6737 (3)0.0318 (3)0.0380 (9)
C340.7172 (4)0.7099 (3)0.0299 (3)0.0383 (9)
C350.7619 (4)0.6170 (3)0.0827 (2)0.0303 (7)
C360.7174 (4)0.4865 (3)0.07307 (18)0.0234 (6)
O10.3191 (2)0.30112 (18)0.03424 (12)0.0181 (4)
H120.75400.00470.06380.029*
H130.80080.10510.17710.038*
H140.69100.02860.28910.047*
H150.51610.15240.28720.042*
H160.46490.26020.17370.033*
H260.52330.04240.03910.029*
H220.44670.28310.16420.030*
H230.36870.15310.26590.043*
H240.36720.07500.25440.047*
H250.44700.17140.14210.039*
H320.51760.51940.08380.035*
H330.59490.73740.06800.046*
H340.74910.79850.03620.046*
H350.82320.64220.12570.036*
H360.74980.42310.10930.028*
H10.32740.37310.06300.022*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.01138 (10)0.01108 (10)0.01804 (10)0.00002 (6)0.00070 (6)0.00076 (10)
C110.0159 (14)0.0176 (14)0.0225 (14)0.0024 (11)0.0050 (11)0.0024 (11)
C120.0226 (15)0.0183 (15)0.0306 (17)0.0033 (13)0.0060 (13)0.0005 (13)
C130.0354 (19)0.0171 (15)0.043 (2)0.0013 (14)0.0143 (16)0.0101 (14)
C140.046 (2)0.039 (2)0.032 (2)0.0101 (18)0.0119 (16)0.0181 (17)
C150.0400 (19)0.040 (2)0.0236 (16)0.0042 (17)0.0025 (15)0.0035 (14)
C160.0254 (16)0.0308 (16)0.0256 (16)0.0022 (13)0.0008 (12)0.0008 (13)
C260.0236 (15)0.0229 (15)0.0267 (16)0.0025 (13)0.0007 (12)0.0034 (13)
C210.0130 (13)0.0152 (14)0.0226 (14)0.0008 (11)0.0020 (10)0.0021 (11)
C220.0242 (15)0.0277 (16)0.0241 (15)0.0072 (13)0.0009 (13)0.0012 (12)
C230.0336 (18)0.052 (2)0.0210 (15)0.0149 (17)0.0037 (14)0.0067 (15)
C240.0321 (19)0.054 (2)0.0324 (19)0.0009 (17)0.0023 (15)0.0249 (18)
C250.0371 (19)0.0196 (15)0.0419 (19)0.0043 (14)0.0057 (17)0.0128 (14)
C310.0105 (12)0.0138 (12)0.0287 (15)0.0006 (10)0.0023 (11)0.0013 (12)
C320.0199 (15)0.0210 (15)0.0461 (19)0.0014 (12)0.0037 (14)0.0075 (14)
C330.0261 (17)0.0169 (15)0.071 (3)0.0012 (13)0.0023 (17)0.0133 (16)
C340.0245 (15)0.0125 (13)0.078 (3)0.0013 (13)0.0061 (18)0.0062 (17)
C350.0247 (16)0.0257 (16)0.0405 (19)0.0053 (13)0.0077 (14)0.0151 (15)
C360.0182 (14)0.0222 (15)0.0297 (17)0.0014 (13)0.0057 (13)0.0063 (13)
O10.0123 (9)0.0151 (9)0.0269 (12)0.0033 (7)0.0013 (7)0.0037 (9)
Geometric parameters (Å, º) top
Sn1—C112.133 (3)C22—C231.384 (4)
Sn1—C212.125 (3)C22—H220.9500
Sn1—C312.126 (3)C23—C241.390 (5)
Sn1—O12.1797 (17)C23—H230.9500
Sn1—O1i2.2500 (17)C24—C251.367 (5)
C11—C161.382 (4)C24—H240.9500
C11—C121.401 (4)C25—H250.9500
C12—C131.389 (4)C31—C361.390 (4)
C12—H120.9500C31—C321.392 (4)
C13—C141.369 (5)C32—C331.393 (4)
C13—H130.9500C32—H320.9500
C14—C151.391 (5)C33—C341.375 (6)
C14—H140.9500C33—H330.9500
C15—C161.388 (4)C34—C351.382 (5)
C15—H150.9500C34—H340.9500
C16—H160.9500C35—C361.394 (4)
C26—C211.391 (4)C35—H350.9500
C26—C251.393 (4)C36—H360.9500
C26—H260.9500O1—H10.897
C21—C221.392 (4)
O1—Sn1—O1i176.842 (12)C26—C21—C22118.6 (3)
Sn1—O1—Sn1ii137.66 (10)C26—C21—Sn1119.3 (2)
Sn1—O1—H1106.0C22—C21—Sn1122.1 (2)
Sn1ii—O1—H1114.9C23—C22—C21120.5 (3)
C11—Sn1—C21116.84 (11)C23—C22—H22119.7
C21—Sn1—C31120.24 (11)C21—C22—H22119.7
C31—Sn1—C11122.51 (11)C22—C23—C24120.3 (3)
C11—Sn1—O192.79 (10)C22—C23—H23119.9
C21—Sn1—O193.29 (9)C24—C23—H23119.9
C31—Sn1—O190.36 (8)C25—C24—C23119.6 (3)
C11—Sn1—O1i90.36 (9)C25—C24—H24120.2
C21—Sn1—O1i85.43 (9)C23—C24—H24120.2
C31—Sn1—O1i87.81 (8)C24—C25—C26120.5 (3)
C16—C11—C12117.9 (3)C24—C25—H25119.7
C16—C11—Sn1121.9 (2)C26—C25—H25119.7
C12—C11—Sn1120.2 (2)C36—C31—C32118.3 (3)
C13—C12—C11120.5 (3)C36—C31—Sn1119.5 (2)
C13—C12—H12119.8C32—C31—Sn1122.2 (2)
C11—C12—H12119.8C31—C32—C33121.1 (3)
C14—C13—C12120.8 (3)C31—C32—H32119.5
C14—C13—H13119.6C33—C32—H32119.5
C12—C13—H13119.6C34—C33—C32120.0 (3)
C13—C14—C15119.5 (3)C34—C33—H33120.0
C13—C14—H14120.2C32—C33—H33120.0
C15—C14—H14120.2C33—C34—C35119.8 (3)
C16—C15—C14119.6 (3)C33—C34—H34120.1
C16—C15—H15120.2C35—C34—H34120.1
C14—C15—H15120.2C34—C35—C36120.3 (3)
C11—C16—C15121.7 (3)C34—C35—H35119.9
C11—C16—H16119.2C36—C35—H35119.9
C15—C16—H16119.2C31—C36—C35120.5 (3)
C21—C26—C25120.5 (3)C31—C36—H36119.7
C21—C26—H26119.8C35—C36—H36119.7
C25—C26—H26119.8
C21—Sn1—C11—C16128.8 (2)C31—Sn1—C21—C2213.5 (3)
C31—Sn1—C11—C1658.5 (3)C11—Sn1—C21—C22173.6 (2)
O1—Sn1—C11—C1633.7 (2)C26—C21—C22—C231.5 (4)
O1i—Sn1—C11—C16146.2 (2)Sn1—C21—C22—C23178.7 (2)
C21—Sn1—C11—C1251.9 (2)C21—C22—C23—C240.7 (5)
C31—Sn1—C11—C12120.8 (2)C22—C23—C24—C250.5 (5)
O1—Sn1—C11—C12147.0 (2)C23—C24—C25—C260.8 (5)
O1—Sn1—C21—C2278.8 (2)C21—C26—C25—C240.0 (5)
O1—Sn1—C31—C3245.2 (2)C21—Sn1—C31—C3642.5 (2)
O1i—Sn1—C11—C1233.1 (2)C11—Sn1—C31—C36129.9 (2)
O1i—Sn1—C21—C2298.3 (2)O1—Sn1—C31—C36136.6 (2)
O1i—Sn1—C31—C32137.3 (2)O1i—Sn1—C31—C3640.9 (2)
C16—C11—C12—C130.8 (4)C21—Sn1—C31—C32139.3 (2)
Sn1—C11—C12—C13178.6 (2)C11—Sn1—C31—C3248.3 (3)
C11—C12—C13—C141.1 (5)C36—C31—C32—C330.5 (5)
C12—C13—C14—C152.3 (5)Sn1—C31—C32—C33177.7 (2)
C13—C14—C15—C161.6 (5)C31—C32—C33—C340.3 (5)
C12—C11—C16—C151.4 (5)C32—C33—C34—C350.4 (6)
Sn1—C11—C16—C15177.9 (3)C33—C34—C35—C361.0 (5)
C14—C15—C16—C110.2 (5)C32—C31—C36—C350.0 (4)
C25—C26—C21—C221.2 (4)Sn1—C31—C36—C35178.3 (2)
C25—C26—C21—Sn1178.5 (2)C34—C35—C36—C310.8 (5)
C31—Sn1—C21—C26163.7 (2)C21—Sn1—O1—Sn1ii5.14 (16)
C11—Sn1—C21—C269.2 (3)C31—Sn1—O1—Sn1ii125.45 (16)
O1—Sn1—C21—C26104.0 (2)C11—Sn1—O1—Sn1ii111.97 (16)
O1i—Sn1—C21—C2678.9 (2)
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···C320.902.753.289 (4)120
C12—H12···O1i0.952.693.178 (4)113
C36—H36···O1i0.952.713.134 (4)108
Symmetry code: (i) x+1/2, y+1/2, z.
 

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