Download citation
Download citation
link to html
In the title compound, [Sn(C6H5)3(C2O2F3)(H2O)]2·2C10H8N2, the coordinated water mol­ecule forms a hydrogen bond to the N atom of each of the two N-heterocycles [Owater...N = 2.754 (3) and 2.795 (3) Å]; the pyridyl rings of the N-heterocycle are twisted by 34.2 (1)°. The Sn atom is five-coordinate in a trans-C3SnO2 trigonal-bipyramidal geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803006615/lh6051sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803006615/lh6051Isup2.hkl
Contains datablock I

CCDC reference: 209902

Key indicators

  • Single-crystal X-ray study
  • T = 168 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.028
  • wR factor = 0.077
  • Data-to-parameter ratio = 15.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_735 Alert C D-H Calc 0.85(3), Rep 0.860(10) .... 3.00 su-Ratio O1W -H1W1 1.555 1.555
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check

Comment top

The aquatrifluoroacetatotriphenyltin entity forms a dinuclear hydrogen-bonded complex with 1,10-phenanthroline (Ng et al., 1996) and a mononuclear complex with 2,2':6'2''-terpyridine (Chee et al., 2003). The formation of a mononuclear complex in the case of the fused-ring heterocycle can probably be attributed to the inability of the ligand to form two hydrogen bonds to the water molecule owing to its small `bite'. The water molecule in the 2,2'-bipyridine analog, (I), is similarly unable to interact with the potentially bidentate ligand. Instead, it interacts with a second ligand to furnish a centrosymmetric dinuclear complex (Fig. 1). The pyridyl rings are twisted by 34.2 (1)°; the large twist apparently allows the acceptor N atoms to approach the water molecule [Owater···N = 2.754 (3) and 2.795 (3) Å] (Fig. 2); the hydrogen-bonding distances are somewhat shorter than those [2.809 (6) and 2.814 (6) Å] found in the 1,10-phenanthroline complex [Sn Owater = 2.335 (4) Å] (Ng et al., 1996). In the terpyridine complex, the two outer rings are twisted with respect to the central pyridyl ring for their N atoms to form hydrogen bonds to the water molecule.

Experimental top

The title compound was obtained by heating triphenyltin trifluoroacetate (2.31 g, 5 mol) and 2,2'-bipyridine (0.78 g, 5 mmol) in a small volume of acetone. The compound was recrystallized from ethanol (m.p. 388–390 K).

Refinement top

The water H atoms were located and refined; O—H = 0.85±0.01 and H···H = 1.39±0.01 Å. The aromatic H atoms were generated geometrically, and were allowed to ride on their parent C atoms, with Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. ORTEPII (Johnson, 1976) plot of the title adduct, with ellipsoids drawn at the 50% probability level. H atoms are drawn as spheres of arbitrary radii. The unlabeled part of the hydrogen-bonded dimer is related to the labeled part by the symmetry code (1 − x, 1 − y, 1 − z).
[Figure 2] Fig. 2. ORTEPII (Johnson, 1976) plot of the diaquabis(2,2'-bipyridine) moiety, with ellipsoids drawn at the 50% probability level. H atoms are drawn as spheres of arbitrary radii. O1w···N1 = 2.795 (3) and O1w···N2i = 2.754 (3) Å, and O1w—H1w1···N1 = 153 (2) and O1w—H1w2···N2i = 164 (3)°. [Symmetry code: (i) 1 − x, 1 − y, 1 − z.]
Bis(aquatrifluoroacetatotriphenyltin.2,2'-bipyridine) top
Crystal data top
[Sn(C6H5)3(C2O2F3)(H2O)]2·2C10H8N2Z = 1
Mr = 1274.42F(000) = 640
Triclinic, P1Dx = 1.540 Mg m3
a = 11.556 (1) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.662 (1) ÅCell parameters from 6120 reflections
c = 12.387 (1) Åθ = 1.8–26.4°
α = 101.524 (1)°µ = 0.98 mm1
β = 101.037 (1)°T = 168 K
γ = 117.313 (1)°Block, colorless
V = 1374.3 (2) Å30.60 × 0.29 × 0.10 mm
Data collection top
Bruker AXS area-detector
diffractometer
5484 independent reflections
Radiation source: fine-focus sealed tube4816 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
ϕ and ω scansθmax = 26.4°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1413
Tmin = 0.767, Tmax = 0.906k = 1414
17712 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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0494P)2]
where P = (Fo2 + 2Fc2)/3
5484 reflections(Δ/σ)max = 0.001
360 parametersΔρmax = 0.74 e Å3
3 restraintsΔρmin = 0.89 e Å3
Crystal data top
[Sn(C6H5)3(C2O2F3)(H2O)]2·2C10H8N2γ = 117.313 (1)°
Mr = 1274.42V = 1374.3 (2) Å3
Triclinic, P1Z = 1
a = 11.556 (1) ÅMo Kα radiation
b = 11.662 (1) ŵ = 0.98 mm1
c = 12.387 (1) ÅT = 168 K
α = 101.524 (1)°0.60 × 0.29 × 0.10 mm
β = 101.037 (1)°
Data collection top
Bruker AXS area-detector
diffractometer
5484 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
4816 reflections with I > 2σ(I)
Tmin = 0.767, Tmax = 0.906Rint = 0.040
17712 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0283 restraints
wR(F2) = 0.077H atoms treated by a mixture of independent and constrained refinement
S = 1.02Δρmax = 0.74 e Å3
5484 reflectionsΔρmin = 0.89 e Å3
360 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.30287 (2)0.03433 (2)0.17526 (2)0.02231 (7)
F10.2009 (3)0.3490 (3)0.1622 (3)0.110 (1)
F20.1345 (4)0.4330 (3)0.0383 (2)0.099 (1)
F30.0081 (3)0.4442 (3)0.1777 (3)0.097 (1)
O10.2540 (2)0.1572 (2)0.0520 (2)0.0328 (5)
O20.0550 (3)0.1949 (3)0.0626 (2)0.0532 (6)
O1w0.3579 (2)0.2367 (2)0.3118 (2)0.0284 (4)
N10.2614 (3)0.3473 (3)0.4683 (2)0.0318 (6)
N20.5580 (3)0.5126 (3)0.7178 (2)0.0324 (6)
C10.4953 (3)0.0615 (3)0.2653 (2)0.0252 (6)
C20.5451 (3)0.1084 (3)0.3874 (3)0.0325 (7)
C30.6697 (4)0.1267 (3)0.4469 (3)0.0417 (8)
C40.7486 (3)0.1003 (4)0.3857 (3)0.0433 (8)
C50.7009 (3)0.0536 (4)0.2652 (3)0.0424 (8)
C60.5752 (3)0.0334 (3)0.2057 (3)0.0330 (7)
C70.1428 (3)0.0649 (3)0.2434 (2)0.0248 (6)
C80.1101 (3)0.1925 (3)0.2523 (2)0.0299 (6)
C90.0158 (3)0.2552 (3)0.3060 (3)0.0363 (7)
C100.0480 (3)0.1903 (3)0.3513 (3)0.0396 (8)
C110.0197 (3)0.0663 (4)0.3410 (3)0.0414 (8)
C120.0752 (3)0.0031 (3)0.2875 (3)0.0329 (7)
C130.3158 (3)0.1461 (3)0.0585 (2)0.0258 (6)
C140.2090 (3)0.1641 (3)0.0084 (3)0.0347 (7)
C150.2280 (4)0.2508 (4)0.0578 (3)0.0432 (8)
C160.3527 (4)0.3185 (4)0.0750 (3)0.0489 (9)
C170.4596 (4)0.3013 (4)0.0258 (3)0.0464 (9)
C180.4412 (3)0.2159 (3)0.0404 (3)0.0345 (7)
C190.1404 (3)0.2249 (3)0.0328 (3)0.0325 (7)
C200.1151 (3)0.3633 (3)0.1045 (3)0.0375 (7)
C210.1654 (4)0.3685 (3)0.4126 (3)0.0392 (7)
C220.1408 (4)0.4683 (4)0.4640 (3)0.0434 (8)
C230.2182 (3)0.5503 (3)0.5777 (3)0.0397 (8)
C240.3177 (3)0.5300 (3)0.6370 (3)0.0326 (7)
C250.3374 (3)0.4281 (3)0.5792 (2)0.0280 (6)
C260.4432 (3)0.4028 (3)0.6393 (2)0.0272 (6)
C270.4230 (3)0.2719 (3)0.6180 (3)0.0350 (7)
C280.5237 (4)0.2546 (3)0.6791 (3)0.0388 (8)
C290.6429 (4)0.3686 (4)0.7599 (3)0.0415 (8)
C300.6557 (4)0.4944 (4)0.7759 (3)0.0402 (8)
H1w10.322 (3)0.246 (3)0.364 (2)0.04 (1)*
H1w20.395 (3)0.312 (2)0.298 (3)0.04 (1)*
H20.49240.12790.42990.039*
H30.70130.15730.52960.050*
H40.83500.11430.42650.052*
H50.75460.03520.22310.051*
H60.54280.00000.12300.040*
H80.15340.23720.22100.036*
H90.00540.34210.31190.044*
H100.11150.23240.38970.047*
H110.06520.02350.37060.050*
H120.09450.08310.28070.040*
H140.12240.11670.01970.042*
H150.15500.26310.09090.052*
H160.36580.37710.12070.059*
H170.54580.34840.03770.056*
H180.51500.20490.07390.041*
H210.11160.31240.33410.047*
H220.07160.48000.42140.052*
H230.20360.61980.61490.048*
H240.37190.58460.71580.039*
H270.34070.19530.56210.042*
H280.51160.16610.66600.047*
H290.71400.35980.80320.050*
H300.73770.57240.83070.048*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0211 (1)0.0238 (1)0.0217 (1)0.0119 (1)0.0066 (1)0.0067 (1)
F10.110 (2)0.064 (2)0.132 (3)0.026 (2)0.088 (2)0.010 (2)
F20.163 (3)0.054 (2)0.066 (2)0.062 (2)0.001 (2)0.009 (1)
F30.059 (2)0.062 (2)0.106 (2)0.030 (2)0.032 (2)0.038 (2)
O10.029 (1)0.032 (1)0.030 (1)0.015 (1)0.005 (1)0.001 (1)
O20.040 (1)0.052 (2)0.060 (2)0.030 (1)0.002 (1)0.004 (1)
O1w0.035 (1)0.022 (1)0.032 (1)0.015 (1)0.017 (1)0.010 (1)
N10.039 (2)0.028 (1)0.033 (1)0.019 (1)0.017 (1)0.011 (1)
N20.038 (2)0.027 (1)0.034 (1)0.017 (1)0.014 (1)0.010 (1)
C10.027 (2)0.022 (2)0.027 (1)0.013 (1)0.008 (1)0.008 (1)
C20.037 (2)0.033 (2)0.030 (2)0.022 (2)0.007 (1)0.009 (1)
C30.047 (2)0.041 (2)0.032 (2)0.028 (2)0.003 (1)0.006 (2)
C40.034 (2)0.043 (2)0.050 (2)0.025 (2)0.002 (2)0.010 (2)
C50.036 (2)0.049 (2)0.053 (2)0.028 (2)0.016 (2)0.017 (2)
C60.034 (2)0.038 (2)0.032 (2)0.023 (2)0.010 (1)0.010 (1)
C70.022 (1)0.024 (2)0.024 (1)0.009 (1)0.006 (1)0.006 (1)
C80.030 (2)0.028 (2)0.032 (2)0.016 (1)0.007 (1)0.009 (1)
C90.036 (2)0.031 (2)0.034 (2)0.010 (2)0.007 (1)0.017 (1)
C100.030 (2)0.045 (2)0.033 (2)0.009 (2)0.014 (1)0.014 (2)
C110.031 (2)0.046 (2)0.046 (2)0.018 (2)0.020 (2)0.008 (2)
C120.030 (2)0.024 (2)0.042 (2)0.013 (1)0.014 (1)0.007 (1)
C130.026 (2)0.027 (2)0.021 (1)0.012 (1)0.008 (1)0.006 (1)
C140.030 (2)0.040 (2)0.031 (2)0.017 (2)0.005 (1)0.013 (1)
C150.046 (2)0.045 (2)0.033 (2)0.022 (2)0.002 (2)0.016 (2)
C160.066 (3)0.046 (2)0.030 (2)0.023 (2)0.012 (2)0.021 (2)
C170.048 (2)0.048 (2)0.041 (2)0.017 (2)0.024 (2)0.022 (2)
C180.031 (2)0.040 (2)0.031 (2)0.017 (2)0.013 (1)0.011 (1)
C190.031 (2)0.033 (2)0.031 (2)0.017 (2)0.012 (1)0.005 (1)
C200.033 (2)0.036 (2)0.033 (2)0.016 (2)0.005 (1)0.000 (1)
C210.043 (2)0.042 (2)0.035 (2)0.024 (2)0.014 (2)0.011 (2)
C220.045 (2)0.049 (2)0.052 (2)0.033 (2)0.022 (2)0.020 (2)
C230.045 (2)0.035 (2)0.052 (2)0.026 (2)0.027 (2)0.014 (2)
C240.031 (2)0.027 (2)0.038 (2)0.013 (1)0.018 (1)0.006 (1)
C250.031 (2)0.022 (2)0.035 (2)0.012 (1)0.020 (1)0.012 (1)
C260.034 (2)0.023 (2)0.029 (1)0.015 (1)0.019 (1)0.011 (1)
C270.045 (2)0.025 (2)0.038 (2)0.017 (2)0.018 (2)0.013 (1)
C280.056 (2)0.033 (2)0.040 (2)0.028 (2)0.022 (2)0.019 (2)
C290.053 (2)0.051 (2)0.038 (2)0.036 (2)0.019 (2)0.022 (2)
C300.043 (2)0.040 (2)0.036 (2)0.022 (2)0.011 (2)0.009 (2)
Geometric parameters (Å, º) top
Sn1—C72.120 (3)C22—C231.376 (5)
Sn1—C12.133 (3)C23—C241.384 (4)
Sn1—C132.115 (3)C24—C251.395 (4)
Sn1—O12.189 (2)C25—C261.485 (4)
Sn1—O1w2.335 (2)C26—C271.394 (4)
F1—C201.300 (4)C27—C281.381 (4)
F2—C201.321 (4)C28—C291.388 (5)
F3—C201.292 (4)C29—C301.374 (5)
O1—C191.280 (4)O1w—H1w10.86 (1)
O2—C191.209 (4)O1w—H1w20.85 (1)
N1—C211.340 (4)C2—H20.95
N1—C251.345 (4)C3—H30.95
N2—C261.340 (4)C4—H40.95
N2—C301.344 (4)C5—H50.95
C1—C61.395 (4)C6—H60.95
C1—C21.401 (4)C8—H80.95
C2—C31.382 (4)C9—H90.95
C3—C41.389 (5)C10—H100.95
C4—C51.383 (5)C11—H110.95
C5—C61.385 (4)C12—H120.95
C7—C81.392 (4)C14—H140.95
C7—C121.397 (4)C15—H150.95
C8—C91.380 (4)C16—H160.95
C9—C101.390 (5)C17—H170.95
C10—C111.368 (5)C18—H180.95
C11—C121.384 (4)C21—H210.95
C13—C181.388 (4)C22—H220.95
C13—C141.396 (4)C23—H230.95
C14—C151.393 (4)C24—H240.95
C15—C161.374 (5)C27—H270.95
C16—C171.387 (5)C28—H280.95
C17—C181.382 (4)C29—H290.95
C19—C201.542 (4)C30—H300.95
C21—C221.385 (4)
C1—Sn1—C13114.0 (1)C27—C28—C29118.9 (3)
C1—Sn1—C7114.1 (1)C30—C29—C28118.4 (3)
C1—Sn1—O189.3 (1)N2—C30—C29123.3 (3)
C1—Sn1—O1w89.3 (1)Sn1—O1w—H1w1128 (2)
C7—Sn1—C13130.5 (1)Sn1—O1w—H1w2120 (2)
C7—Sn1—O193.5 (1)H1w1—O1w—H1w2108 (2)
C7—Sn1—O1w86.0 (1)C3—C2—H2119.5
C13—Sn1—O198.2 (1)C1—C2—H2119.5
C13—Sn1—O1w83.6 (1)C2—C3—H3120.0
O1—Sn1—O1w178.1 (1)C4—C3—H3120.0
C19—O1—Sn1118.8 (2)C5—C4—H4120.1
C21—N1—C25117.7 (3)C3—C4—H4120.1
C26—N2—C30118.3 (3)C4—C5—H5119.9
C6—C1—C2117.9 (3)C6—C5—H5119.9
C6—C1—Sn1121.6 (2)C5—C6—H6119.5
C2—C1—Sn1120.4 (2)C1—C6—H6119.5
C3—C2—C1121.1 (3)C9—C8—H8119.6
C2—C3—C4120.0 (3)C7—C8—H8119.6
C5—C4—C3119.7 (3)C8—C9—H9120.2
C4—C5—C6120.2 (3)C10—C9—H9120.2
C5—C6—C1121.1 (3)C11—C10—H10119.8
C8—C7—C12118.4 (2)C9—C10—H10119.8
C8—C7—Sn1118.9 (2)C10—C11—H11119.9
C12—C7—Sn1122.6 (2)C12—C11—H11119.9
C9—C8—C7120.9 (3)C11—C12—H12119.7
C8—C9—C10119.6 (3)C7—C12—H12119.7
C11—C10—C9120.4 (3)C15—C14—H14119.7
C10—C11—C12120.1 (3)C13—C14—H14119.7
C11—C12—C7120.6 (3)C16—C15—H15120.1
C16—C15—C14119.8 (3)C14—C15—H15120.1
C15—C16—C17120.0 (3)C15—C16—H16120.0
C18—C17—C16120.3 (3)C17—C16—H16120.0
C17—C18—C13120.5 (3)C18—C17—H17119.8
O2—C19—O1129.5 (3)C16—C17—H17119.8
O2—C19—C20118.1 (3)C17—C18—H18119.7
O1—C19—C20112.4 (2)C13—C18—H18119.7
F3—C20—F1107.7 (3)N1—C21—H21118.4
F3—C20—F2105.6 (3)C22—C21—H21118.4
F1—C20—F2103.9 (3)C23—C22—H22120.6
F3—C20—C19114.1 (3)C21—C22—H22120.6
F1—C20—C19112.3 (3)C22—C23—H23120.6
F2—C20—C19112.5 (3)C24—C23—H23120.6
N1—C21—C22123.2 (3)C23—C24—H24120.5
C23—C22—C21118.9 (3)C25—C24—H24120.5
C22—C23—C24118.9 (3)C28—C27—H27120.3
C23—C24—C25119.0 (3)C26—C27—H27120.3
N1—C25—C24122.3 (3)C27—C28—H28120.5
N1—C25—C26116.8 (2)C29—C28—H28120.5
C24—C25—C26120.9 (3)C30—C29—H29120.8
N2—C26—C27121.7 (3)C28—C29—H29120.8
N2—C26—C25116.2 (2)N2—C30—H30118.3
C27—C26—C25122.1 (3)C29—C30—H30118.3
C28—C27—C26119.3 (3)
C13—Sn1—O1—C1964.0 (2)C1—Sn1—C13—C14167.2 (2)
C7—Sn1—O1—C1967.7 (2)O1—Sn1—C13—C14100.0 (2)
C1—Sn1—O1—C19178.2 (2)O1w—Sn1—C13—C1480.8 (2)
C13—Sn1—C1—C656.9 (3)C18—C13—C14—C150.3 (5)
C7—Sn1—C1—C6135.2 (2)Sn1—C13—C14—C15172.9 (2)
O1—Sn1—C1—C641.7 (2)C13—C14—C15—C160.6 (5)
O1w—Sn1—C1—C6139.5 (2)C14—C15—C16—C170.5 (5)
C13—Sn1—C1—C2123.2 (2)C15—C16—C17—C180.2 (6)
C7—Sn1—C1—C244.7 (3)C16—C17—C18—C130.1 (5)
O1—Sn1—C1—C2138.2 (2)C14—C13—C18—C170.1 (5)
O1w—Sn1—C1—C240.6 (2)Sn1—C13—C18—C17173.6 (3)
C6—C1—C2—C30.2 (4)Sn1—O1—C19—O26.0 (4)
Sn1—C1—C2—C3179.9 (2)Sn1—O1—C19—C20174.5 (2)
C1—C2—C3—C40.9 (5)O2—C19—C20—F311.8 (4)
C2—C3—C4—C51.1 (5)O1—C19—C20—F3168.7 (3)
C3—C4—C5—C60.2 (5)O2—C19—C20—F1111.1 (4)
C4—C5—C6—C10.9 (5)O1—C19—C20—F168.4 (4)
C2—C1—C6—C51.1 (4)O2—C19—C20—F2132.0 (3)
Sn1—C1—C6—C5179.0 (2)O1—C19—C20—F248.5 (4)
C13—Sn1—C7—C8138.7 (2)C25—N1—C21—C220.4 (5)
C1—Sn1—C7—C855.9 (2)N1—C21—C22—C230.0 (5)
O1—Sn1—C7—C834.9 (2)C21—C22—C23—C240.2 (5)
O1w—Sn1—C7—C8143.3 (2)C22—C23—C24—C250.7 (4)
C13—Sn1—C7—C1246.0 (3)C21—N1—C25—C240.9 (4)
C1—Sn1—C7—C12119.4 (2)C21—N1—C25—C26180.0 (2)
O1—Sn1—C7—C12149.8 (2)C23—C24—C25—N11.1 (4)
O1w—Sn1—C7—C1232.0 (2)C23—C24—C25—C26179.8 (3)
C12—C7—C8—C91.6 (4)C30—N2—C26—C270.7 (4)
Sn1—C7—C8—C9173.9 (2)C30—N2—C26—C25178.8 (2)
C7—C8—C9—C100.3 (5)N1—C25—C26—N2147.2 (2)
C8—C9—C10—C111.3 (5)C24—C25—C26—N233.7 (4)
C9—C10—C11—C121.5 (5)N1—C25—C26—C2734.7 (4)
C10—C11—C12—C70.1 (5)C24—C25—C26—C27144.4 (3)
C8—C7—C12—C111.4 (4)N2—C26—C27—C280.1 (4)
Sn1—C7—C12—C11173.9 (2)C25—C26—C27—C28178.1 (3)
C7—Sn1—C13—C18171.6 (2)C26—C27—C28—C290.2 (4)
C1—Sn1—C13—C186.1 (3)C27—C28—C29—C300.1 (4)
O1—Sn1—C13—C1886.7 (2)C26—N2—C30—C290.9 (4)
O1w—Sn1—C13—C1892.5 (2)C28—C29—C30—N20.5 (5)
C7—Sn1—C13—C141.7 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···N10.86 (1)2.01 (2)2.795 (3)153 (2)
O1w—H1w2···N2i0.85 (1)1.92 (1)2.754 (3)164 (3)
Symmetry code: (i) x+1, y+1, z+1.

Experimental details

Crystal data
Chemical formula[Sn(C6H5)3(C2O2F3)(H2O)]2·2C10H8N2
Mr1274.42
Crystal system, space groupTriclinic, P1
Temperature (K)168
a, b, c (Å)11.556 (1), 11.662 (1), 12.387 (1)
α, β, γ (°)101.524 (1), 101.037 (1), 117.313 (1)
V3)1374.3 (2)
Z1
Radiation typeMo Kα
µ (mm1)0.98
Crystal size (mm)0.60 × 0.29 × 0.10
Data collection
DiffractometerBruker AXS area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.767, 0.906
No. of measured, independent and
observed [I > 2σ(I)] reflections
17712, 5484, 4816
Rint0.040
(sin θ/λ)max1)0.625
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.028, 0.077, 1.02
No. of reflections5484
No. of parameters360
No. of restraints3
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.74, 0.89

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPII (Johnson, 1976), SHELXL97.

Selected geometric parameters (Å, º) top
Sn1—C72.120 (3)Sn1—O12.189 (2)
Sn1—C12.133 (3)Sn1—O1w2.335 (2)
Sn1—C132.115 (3)
C1—Sn1—C13114.0 (1)C7—Sn1—O193.5 (1)
C1—Sn1—C7114.1 (1)C7—Sn1—O1w86.0 (1)
C1—Sn1—O189.3 (1)C13—Sn1—O198.2 (1)
C1—Sn1—O1w89.3 (1)C13—Sn1—O1w83.6 (1)
C7—Sn1—C13130.5 (1)O1—Sn1—O1w178.1 (1)
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds