Literature DB >> 21754575

Chloridobis(2-chloro-benz-yl)(quinolin-8-olato-κN,O)tin(IV).

Thy Chun Keng1, Kong Mun Lo, Seik Weng Ng.   

Abstract

The Sn(IV) atom in the three independent mol-ecules of the title compound, [Sn(C(7)H(6)Cl)(2)(C(9)H(6)NO)Cl], is N,O-chelated by the quinolin-8-olate anion and exists in a cis-C(2)SnNOCl trigonal-bipyramidal geometry; the O atom of the anion and the two benzyl C atoms lie in the equatorial plane.

Entities:  

Year:  2011        PMID: 21754575      PMCID: PMC3120540          DOI: 10.1107/S160053681101573X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For the direct synthesis of the organotin chloride reactant, see: Sisido et al. (1961 ▶). For related structures, see: Shi & Hu (1987 ▶); Vafaee et al. (2010 ▶).

Experimental

Crystal data

[Sn(C7H6Cl)2(C9H6NO)Cl] M = 549.42 Monoclinic, a = 10.2504 (1) Å b = 41.2573 (6) Å c = 15.3882 (2) Å β = 100.3433 (6)° V = 6401.98 (14) Å3 Z = 12 Mo Kα radiation μ = 1.59 mm−1 T = 100 K 0.25 × 0.20 × 0.15 mm

Data collection

Bruker SMART APEX diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.692, T max = 0.797 41105 measured reflections 14589 independent reflections 13128 reflections with I > 2σ(I) R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.037 wR(F 2) = 0.086 S = 1.11 14589 reflections 784 parameters H-atom parameters constrained Δρmax = 1.27 e Å−3 Δρmin = −1.42 e Å−3 Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT; data reduction: SAINT (Bruker, 2009 ▶); 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, 2010 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681101573X/bt5528sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S160053681101573X/bt5528Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Sn(C7H6Cl)2(C9H6NO)Cl]F(000) = 3264
Mr = 549.42Dx = 1.710 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 9252 reflections
a = 10.2504 (1) Åθ = 2.4–28.3°
b = 41.2573 (6) ŵ = 1.59 mm1
c = 15.3882 (2) ÅT = 100 K
β = 100.3433 (6)°Block, colorless
V = 6401.98 (14) Å30.25 × 0.20 × 0.15 mm
Z = 12
Bruker SMART APEX diffractometer14589 independent reflections
Radiation source: fine-focus sealed tube13128 reflections with I > 2σ(I)
graphiteRint = 0.024
ω scansθmax = 27.5°, θmin = 1.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −13→13
Tmin = 0.692, Tmax = 0.797k = −53→40
41105 measured reflectionsl = −19→19
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.086H-atom parameters constrained
S = 1.11w = 1/[σ2(Fo2) + (0.0318P)2 + 14.3485P] where P = (Fo2 + 2Fc2)/3
14589 reflections(Δ/σ)max = 0.001
784 parametersΔρmax = 1.27 e Å3
0 restraintsΔρmin = −1.42 e Å3
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.
xyzUiso*/Ueq
Sn10.51891 (2)0.342454 (5)0.664659 (14)0.01383 (5)
Sn20.51124 (2)0.325014 (5)0.306586 (14)0.01375 (5)
Sn30.49861 (2)0.005273 (5)0.701013 (14)0.01335 (5)
Cl10.35889 (8)0.30078 (2)0.60004 (6)0.02297 (17)
Cl20.28721 (9)0.35808 (3)0.86345 (6)0.0307 (2)
Cl30.37714 (9)0.41474 (2)0.73481 (6)0.02583 (18)
Cl40.66348 (8)0.36906 (2)0.36650 (6)0.02405 (18)
Cl50.65041 (10)0.24788 (2)0.24180 (6)0.0301 (2)
Cl60.76770 (9)0.31831 (2)0.15379 (6)0.02775 (19)
Cl70.33400 (8)−0.036560 (19)0.64966 (6)0.02048 (16)
Cl80.38458 (10)0.09956 (2)0.74145 (6)0.0296 (2)
Cl90.26222 (8)0.02390 (2)0.83358 (5)0.02545 (18)
O10.6547 (2)0.31709 (5)0.60960 (14)0.0158 (4)
O20.3754 (2)0.34906 (5)0.36442 (14)0.0160 (4)
O30.6230 (2)−0.01859 (5)0.63342 (15)0.0172 (5)
N10.7171 (3)0.37103 (6)0.70561 (17)0.0152 (5)
N20.3191 (3)0.29384 (6)0.27310 (17)0.0149 (5)
N30.6961 (3)0.03576 (6)0.72578 (17)0.0155 (5)
C10.5196 (4)0.32487 (8)0.7971 (2)0.0228 (7)
H1A0.43120.31540.79840.027*
H1B0.58470.30700.80830.027*
C20.5502 (3)0.34804 (8)0.8716 (2)0.0181 (7)
C30.6818 (4)0.35385 (10)0.9111 (3)0.0296 (8)
H30.75030.34220.89070.036*
C40.7155 (4)0.37575 (11)0.9782 (3)0.0390 (11)
H40.80620.37921.00300.047*
C50.6192 (5)0.39269 (10)1.0095 (2)0.0403 (12)
H50.64300.40801.05570.048*
C60.4858 (5)0.38745 (9)0.9736 (2)0.0321 (9)
H60.41800.39890.99550.039*
C70.4539 (3)0.36523 (8)0.9056 (2)0.0197 (7)
C80.4283 (3)0.37879 (8)0.5727 (2)0.0195 (7)
H8A0.43740.37170.51260.023*
H8B0.33230.37920.57470.023*
C90.4790 (3)0.41255 (8)0.5851 (2)0.0165 (6)
C100.5479 (4)0.42694 (9)0.5246 (2)0.0227 (7)
H100.56570.41460.47590.027*
C110.5910 (4)0.45888 (10)0.5344 (3)0.0302 (8)
H110.63670.46820.49210.036*
C120.5676 (4)0.47723 (9)0.6057 (2)0.0265 (8)
H120.59770.49900.61230.032*
C130.5003 (3)0.46368 (8)0.6667 (2)0.0210 (7)
H130.48300.47600.71550.025*
C140.4584 (3)0.43187 (8)0.6559 (2)0.0161 (6)
C150.7455 (3)0.39726 (8)0.7550 (2)0.0178 (6)
H150.67630.40760.77810.021*
C160.8738 (3)0.41027 (8)0.7745 (2)0.0221 (7)
H160.89100.42890.81090.027*
C170.9739 (3)0.39583 (8)0.7406 (2)0.0214 (7)
H171.06090.40460.75300.026*
C180.9483 (3)0.36779 (8)0.6871 (2)0.0162 (6)
C191.0442 (3)0.35066 (8)0.6496 (2)0.0193 (7)
H191.13300.35830.65770.023*
C201.0088 (3)0.32306 (9)0.6017 (2)0.0211 (7)
H201.07420.31170.57720.025*
C210.8782 (3)0.31108 (8)0.5878 (2)0.0171 (6)
H210.85690.29170.55490.020*
C220.7806 (3)0.32750 (8)0.62184 (19)0.0144 (6)
C230.8163 (3)0.35615 (8)0.67214 (19)0.0144 (6)
C240.4908 (4)0.34026 (8)0.1706 (2)0.0223 (7)
H24A0.40320.35080.15360.027*
H24B0.55920.35690.16700.027*
C250.5024 (3)0.31453 (8)0.1037 (2)0.0165 (6)
C260.3891 (4)0.30107 (9)0.0511 (2)0.0248 (8)
H260.30370.30850.05750.030*
C270.4002 (4)0.27714 (10)−0.0099 (2)0.0302 (9)
H270.32230.2685−0.04510.036*
C280.5223 (4)0.26566 (9)−0.0205 (2)0.0300 (9)
H280.52870.2490−0.06210.036*
C290.6358 (4)0.27858 (9)0.0299 (2)0.0250 (8)
H290.72070.27090.02320.030*
C300.6244 (3)0.30281 (8)0.0901 (2)0.0179 (6)
C310.6184 (3)0.29074 (8)0.3978 (2)0.0211 (7)
H31A0.71080.29020.38710.025*
H31B0.62170.29950.45800.025*
C320.5725 (3)0.25673 (8)0.3986 (2)0.0165 (6)
C330.5197 (4)0.24448 (10)0.4697 (2)0.0270 (8)
H330.50670.25880.51580.032*
C340.4858 (4)0.21223 (11)0.4750 (3)0.0345 (9)
H340.45180.20460.52470.041*
C350.5013 (4)0.19110 (10)0.4077 (3)0.0313 (9)
H350.47850.16890.41150.038*
C360.5498 (4)0.20224 (9)0.3353 (2)0.0244 (7)
H360.55910.18800.28830.029*
C370.5848 (3)0.23456 (8)0.3323 (2)0.0174 (6)
C380.2936 (3)0.26708 (8)0.2257 (2)0.0183 (6)
H380.36300.25730.20140.022*
C390.1678 (4)0.25257 (8)0.2101 (2)0.0227 (7)
H390.15240.23340.17540.027*
C400.0673 (3)0.26633 (8)0.2456 (2)0.0217 (7)
H40−0.01820.25660.23550.026*
C410.0902 (3)0.29479 (8)0.2971 (2)0.0185 (7)
C42−0.0053 (3)0.31081 (9)0.3369 (2)0.0218 (7)
H42−0.09200.30200.33220.026*
C430.0271 (3)0.33903 (9)0.3824 (2)0.0218 (7)
H43−0.03850.34980.40810.026*
C440.1552 (3)0.35252 (9)0.3923 (2)0.0193 (7)
H440.17460.37220.42400.023*
C450.2524 (3)0.33724 (8)0.35614 (19)0.0144 (6)
C460.2201 (3)0.30805 (8)0.3085 (2)0.0151 (6)
C470.3890 (3)0.04155 (8)0.6179 (2)0.0177 (6)
H47A0.35280.03150.56020.021*
H47B0.31270.04830.64500.021*
C480.4642 (3)0.07106 (8)0.6015 (2)0.0158 (6)
C490.5337 (3)0.07149 (9)0.5316 (2)0.0232 (7)
H490.53170.05300.49470.028*
C500.6058 (4)0.09847 (11)0.5153 (3)0.0334 (9)
H500.65160.09850.46680.040*
C510.6113 (4)0.12534 (10)0.5691 (3)0.0311 (9)
H510.66230.14360.55820.037*
C520.5433 (4)0.12588 (9)0.6389 (2)0.0244 (7)
H520.54630.14440.67570.029*
C530.4706 (3)0.09875 (8)0.6540 (2)0.0175 (6)
C540.5296 (4)−0.00778 (8)0.8390 (2)0.0211 (7)
H54A0.4609−0.02370.84820.025*
H54B0.6170−0.01850.85510.025*
C550.5246 (3)0.02044 (8)0.8991 (2)0.0182 (7)
C560.6380 (4)0.03202 (9)0.9556 (2)0.0238 (7)
H560.72020.02120.95720.029*
C570.6332 (4)0.05867 (10)1.0089 (2)0.0292 (9)
H570.71150.06581.04670.035*
C580.5157 (4)0.07504 (9)1.0076 (2)0.0280 (8)
H580.51360.09361.04370.034*
C590.3999 (4)0.06433 (9)0.9535 (2)0.0234 (7)
H590.31810.07530.95240.028*
C600.4070 (3)0.03732 (8)0.9013 (2)0.0178 (7)
C610.7283 (3)0.06276 (8)0.7710 (2)0.0194 (7)
H610.66420.07280.79960.023*
C620.8548 (4)0.07705 (8)0.7782 (2)0.0243 (7)
H620.87550.09640.81150.029*
C630.9477 (3)0.06275 (9)0.7366 (2)0.0236 (7)
H631.03290.07230.74080.028*
C640.9170 (3)0.03384 (8)0.6874 (2)0.0193 (7)
C651.0060 (3)0.01673 (9)0.6442 (2)0.0234 (7)
H651.09270.02500.64470.028*
C660.9673 (3)−0.01177 (9)0.6017 (2)0.0217 (7)
H661.0287−0.02340.57410.026*
C670.8383 (3)−0.02427 (9)0.5979 (2)0.0191 (7)
H670.8140−0.04410.56800.023*
C680.7474 (3)−0.00779 (8)0.6374 (2)0.0161 (6)
C690.7877 (3)0.02121 (8)0.6840 (2)0.0153 (6)
U11U22U33U12U13U23
Sn10.01268 (10)0.01196 (11)0.01760 (10)0.00043 (8)0.00474 (8)−0.00269 (8)
Sn20.01284 (10)0.01225 (11)0.01672 (10)−0.00010 (8)0.00417 (8)−0.00330 (8)
Sn30.01349 (10)0.01096 (11)0.01619 (10)−0.00032 (8)0.00426 (8)0.00004 (8)
Cl10.0155 (4)0.0190 (4)0.0347 (4)−0.0035 (3)0.0052 (3)−0.0078 (3)
Cl20.0187 (4)0.0405 (6)0.0346 (5)−0.0005 (4)0.0093 (4)0.0044 (4)
Cl30.0314 (5)0.0270 (5)0.0231 (4)0.0010 (4)0.0154 (3)0.0016 (3)
Cl40.0185 (4)0.0203 (4)0.0347 (4)−0.0064 (3)0.0084 (3)−0.0108 (3)
Cl50.0408 (5)0.0321 (5)0.0213 (4)0.0002 (4)0.0160 (4)0.0001 (3)
Cl60.0199 (4)0.0336 (5)0.0279 (4)−0.0079 (4)−0.0007 (3)0.0006 (4)
Cl70.0163 (4)0.0156 (4)0.0305 (4)−0.0040 (3)0.0067 (3)−0.0021 (3)
Cl80.0376 (5)0.0311 (5)0.0222 (4)0.0009 (4)0.0114 (4)−0.0044 (3)
Cl90.0158 (4)0.0385 (5)0.0219 (4)−0.0020 (3)0.0028 (3)−0.0009 (3)
O10.0125 (11)0.0147 (11)0.0211 (11)0.0009 (8)0.0054 (9)−0.0039 (9)
O20.0141 (11)0.0158 (12)0.0186 (11)0.0012 (9)0.0039 (9)−0.0045 (9)
O30.0140 (11)0.0151 (12)0.0232 (11)−0.0024 (9)0.0057 (9)−0.0038 (9)
N10.0151 (13)0.0127 (13)0.0172 (12)0.0038 (10)0.0013 (10)0.0017 (10)
N20.0160 (13)0.0134 (13)0.0150 (12)0.0012 (10)0.0021 (10)−0.0002 (10)
N30.0173 (13)0.0112 (13)0.0174 (12)0.0001 (10)0.0014 (10)0.0016 (10)
C10.0310 (19)0.0171 (17)0.0235 (17)0.0012 (14)0.0134 (15)0.0009 (13)
C20.0188 (16)0.0215 (17)0.0148 (14)−0.0005 (13)0.0052 (12)0.0041 (12)
C30.0224 (18)0.036 (2)0.0301 (19)−0.0018 (16)0.0036 (15)0.0105 (16)
C40.037 (2)0.045 (3)0.029 (2)−0.021 (2)−0.0089 (18)0.0123 (18)
C50.075 (3)0.030 (2)0.0127 (16)−0.031 (2)−0.0031 (19)−0.0002 (15)
C60.055 (3)0.023 (2)0.0227 (17)−0.0014 (18)0.0174 (18)−0.0007 (15)
C70.0234 (17)0.0186 (17)0.0173 (15)−0.0042 (13)0.0039 (13)−0.0003 (12)
C80.0173 (16)0.0193 (17)0.0212 (16)0.0018 (13)0.0015 (13)−0.0023 (13)
C90.0167 (15)0.0180 (17)0.0141 (14)0.0066 (13)0.0009 (12)0.0005 (12)
C100.0277 (19)0.0236 (19)0.0184 (16)0.0060 (14)0.0089 (14)0.0005 (13)
C110.038 (2)0.028 (2)0.0294 (19)0.0008 (17)0.0174 (17)0.0054 (15)
C120.034 (2)0.0150 (17)0.0311 (19)−0.0002 (15)0.0071 (16)0.0019 (14)
C130.0235 (17)0.0202 (17)0.0191 (15)0.0059 (14)0.0035 (13)−0.0035 (13)
C140.0160 (15)0.0187 (17)0.0140 (14)0.0032 (12)0.0039 (12)0.0017 (12)
C150.0205 (16)0.0126 (15)0.0192 (15)0.0025 (12)0.0003 (13)0.0010 (12)
C160.0259 (18)0.0138 (16)0.0255 (17)−0.0007 (14)0.0013 (14)−0.0003 (13)
C170.0204 (17)0.0194 (17)0.0228 (16)−0.0057 (13)−0.0005 (13)0.0039 (13)
C180.0151 (15)0.0166 (16)0.0165 (14)0.0001 (12)0.0016 (12)0.0059 (12)
C190.0124 (15)0.0230 (18)0.0227 (16)0.0018 (13)0.0039 (13)0.0078 (13)
C200.0161 (16)0.031 (2)0.0170 (15)0.0067 (14)0.0052 (13)0.0051 (13)
C210.0169 (15)0.0199 (17)0.0146 (14)0.0022 (13)0.0034 (12)0.0002 (12)
C220.0129 (14)0.0176 (16)0.0127 (13)0.0021 (12)0.0027 (11)0.0040 (11)
C230.0153 (15)0.0148 (16)0.0134 (14)−0.0008 (12)0.0034 (12)0.0029 (11)
C240.0309 (19)0.0156 (17)0.0223 (16)0.0018 (14)0.0100 (14)0.0020 (13)
C250.0247 (17)0.0093 (15)0.0159 (14)0.0019 (12)0.0048 (13)0.0068 (11)
C260.0214 (17)0.026 (2)0.0249 (17)−0.0017 (14)−0.0011 (14)0.0080 (14)
C270.038 (2)0.028 (2)0.0204 (17)−0.0175 (17)−0.0062 (15)0.0017 (15)
C280.053 (3)0.0219 (19)0.0163 (16)−0.0087 (17)0.0086 (16)−0.0043 (14)
C290.033 (2)0.0232 (19)0.0227 (17)−0.0016 (15)0.0143 (15)−0.0028 (14)
C300.0211 (16)0.0187 (17)0.0133 (14)−0.0068 (13)0.0014 (12)0.0012 (12)
C310.0188 (16)0.0184 (17)0.0235 (17)0.0036 (13)−0.0028 (13)−0.0024 (13)
C320.0153 (15)0.0184 (17)0.0149 (14)0.0057 (12)0.0000 (12)−0.0010 (12)
C330.030 (2)0.035 (2)0.0174 (16)0.0131 (16)0.0094 (14)0.0024 (14)
C340.028 (2)0.042 (3)0.038 (2)0.0057 (17)0.0169 (17)0.0187 (18)
C350.027 (2)0.021 (2)0.046 (2)0.0004 (15)0.0058 (17)0.0113 (17)
C360.0228 (18)0.0191 (18)0.0293 (18)0.0019 (14)−0.0004 (15)−0.0026 (14)
C370.0175 (16)0.0223 (17)0.0130 (14)0.0018 (13)0.0046 (12)0.0014 (12)
C380.0210 (16)0.0137 (16)0.0196 (15)0.0014 (13)0.0019 (13)−0.0010 (12)
C390.0283 (19)0.0137 (17)0.0240 (17)−0.0061 (14)−0.0007 (14)0.0015 (13)
C400.0217 (17)0.0200 (18)0.0219 (16)−0.0050 (14)−0.0003 (13)0.0060 (13)
C410.0168 (16)0.0214 (17)0.0163 (15)−0.0025 (13)0.0004 (12)0.0054 (12)
C420.0135 (16)0.030 (2)0.0224 (16)−0.0001 (14)0.0041 (13)0.0094 (14)
C430.0182 (16)0.031 (2)0.0169 (15)0.0054 (14)0.0066 (13)0.0055 (13)
C440.0198 (16)0.0226 (18)0.0152 (15)0.0046 (13)0.0024 (12)−0.0004 (12)
C450.0142 (15)0.0171 (16)0.0116 (13)0.0017 (12)0.0016 (11)0.0027 (11)
C460.0168 (15)0.0141 (16)0.0141 (14)0.0022 (12)0.0015 (12)0.0026 (11)
C470.0178 (16)0.0124 (16)0.0221 (16)−0.0021 (12)0.0011 (13)0.0005 (12)
C480.0144 (15)0.0137 (16)0.0178 (15)0.0013 (12)−0.0009 (12)0.0026 (12)
C490.0221 (17)0.0271 (19)0.0210 (16)0.0019 (14)0.0061 (14)0.0008 (14)
C500.031 (2)0.043 (3)0.0288 (19)−0.0078 (18)0.0110 (16)0.0082 (17)
C510.027 (2)0.029 (2)0.035 (2)−0.0109 (16)0.0002 (16)0.0112 (16)
C520.0253 (18)0.0165 (17)0.0271 (17)−0.0022 (14)−0.0066 (14)0.0016 (14)
C530.0169 (16)0.0192 (17)0.0150 (14)0.0027 (12)−0.0006 (12)0.0018 (12)
C540.0230 (17)0.0200 (18)0.0213 (16)0.0026 (13)0.0071 (14)0.0026 (13)
C550.0197 (16)0.0187 (17)0.0165 (15)−0.0010 (13)0.0040 (12)0.0092 (12)
C560.0206 (17)0.031 (2)0.0202 (16)0.0000 (14)0.0048 (13)0.0065 (14)
C570.029 (2)0.041 (2)0.0172 (16)−0.0162 (17)0.0018 (14)0.0013 (15)
C580.044 (2)0.0230 (19)0.0194 (16)−0.0084 (16)0.0115 (16)−0.0030 (14)
C590.0303 (19)0.0229 (19)0.0186 (16)0.0043 (15)0.0089 (14)0.0000 (13)
C600.0174 (16)0.0238 (18)0.0125 (14)−0.0018 (13)0.0036 (12)0.0027 (12)
C610.0209 (17)0.0146 (16)0.0202 (15)0.0007 (13)−0.0033 (13)0.0010 (12)
C620.0263 (18)0.0126 (17)0.0299 (18)−0.0026 (14)−0.0062 (15)0.0027 (13)
C630.0194 (17)0.0198 (18)0.0283 (18)−0.0068 (14)−0.0042 (14)0.0072 (14)
C640.0165 (16)0.0204 (17)0.0191 (15)−0.0039 (13)−0.0022 (12)0.0066 (13)
C650.0160 (16)0.034 (2)0.0205 (16)−0.0020 (14)0.0039 (13)0.0086 (14)
C660.0166 (16)0.034 (2)0.0164 (15)0.0036 (14)0.0069 (13)0.0043 (13)
C670.0197 (16)0.0229 (18)0.0143 (14)0.0017 (13)0.0020 (12)−0.0001 (12)
C680.0146 (15)0.0171 (16)0.0159 (14)−0.0008 (12)0.0014 (12)0.0032 (12)
C690.0173 (15)0.0127 (15)0.0154 (14)−0.0005 (12)0.0014 (12)0.0035 (11)
Sn1—O12.043 (2)C26—H260.9500
Sn1—C82.154 (3)C27—C281.375 (6)
Sn1—C12.162 (3)C27—H270.9500
Sn1—N12.335 (3)C28—C291.384 (5)
Sn1—Cl12.4596 (8)C28—H280.9500
Sn2—O22.039 (2)C29—C301.382 (5)
Sn2—C312.150 (3)C29—H290.9500
Sn2—C242.159 (3)C31—C321.481 (5)
Sn2—N22.331 (3)C31—H31A0.9900
Sn2—Cl42.4638 (8)C31—H31B0.9900
Sn3—O32.038 (2)C32—C371.393 (4)
Sn3—C472.150 (3)C32—C331.399 (5)
Sn3—C542.159 (3)C33—C341.381 (6)
Sn3—N32.355 (3)C33—H330.9500
Sn3—Cl72.4437 (8)C34—C351.384 (6)
Cl2—C71.740 (4)C34—H340.9500
Cl3—C141.741 (3)C35—C361.378 (5)
Cl5—C371.741 (3)C35—H350.9500
Cl6—C301.735 (3)C36—C371.384 (5)
Cl8—C531.736 (3)C36—H360.9500
Cl9—C601.743 (3)C38—C391.403 (5)
O1—C221.341 (4)C38—H380.9500
O2—C451.337 (4)C39—C401.373 (5)
O3—C681.342 (4)C39—H390.9500
N1—C151.325 (4)C40—C411.412 (5)
N1—C231.365 (4)C40—H400.9500
N2—C381.323 (4)C41—C421.410 (5)
N2—C461.367 (4)C41—C461.421 (4)
N3—C611.324 (4)C42—C431.368 (5)
N3—C691.368 (4)C42—H420.9500
C1—C21.483 (5)C43—C441.408 (5)
C1—H1A0.9900C43—H430.9500
C1—H1B0.9900C44—C451.378 (4)
C2—C71.391 (5)C44—H440.9500
C2—C31.397 (5)C45—C461.418 (4)
C3—C41.368 (6)C47—C481.486 (4)
C3—H30.9500C47—H47A0.9900
C4—C51.366 (7)C47—H47B0.9900
C4—H40.9500C48—C491.393 (5)
C5—C61.397 (6)C48—C531.394 (5)
C5—H50.9500C49—C501.384 (5)
C6—C71.386 (5)C49—H490.9500
C6—H60.9500C50—C511.379 (6)
C8—C91.487 (5)C50—H500.9500
C8—H8A0.9900C51—C521.381 (5)
C8—H8B0.9900C51—H510.9500
C9—C141.396 (4)C52—C531.388 (5)
C9—C101.397 (5)C52—H520.9500
C10—C111.389 (5)C54—C551.493 (5)
C10—H100.9500C54—H54A0.9900
C11—C121.388 (5)C54—H54B0.9900
C11—H110.9500C55—C601.398 (5)
C12—C131.379 (5)C55—C561.405 (5)
C12—H120.9500C56—C571.377 (5)
C13—C141.382 (5)C56—H560.9500
C13—H130.9500C57—C581.379 (6)
C15—C161.402 (5)C57—H570.9500
C15—H150.9500C58—C591.394 (5)
C16—C171.369 (5)C58—H580.9500
C16—H160.9500C59—C601.383 (5)
C17—C181.416 (5)C59—H590.9500
C17—H170.9500C61—C621.411 (5)
C18—C191.415 (5)C61—H610.9500
C18—C231.415 (4)C62—C631.372 (5)
C19—C201.370 (5)C62—H620.9500
C19—H190.9500C63—C641.417 (5)
C20—C211.407 (5)C63—H630.9500
C20—H200.9500C64—C651.411 (5)
C21—C221.387 (4)C64—C691.417 (4)
C21—H210.9500C65—C661.369 (5)
C22—C231.424 (4)C65—H650.9500
C24—C251.498 (5)C66—C671.410 (5)
C24—H24A0.9900C66—H660.9500
C24—H24B0.9900C67—C681.380 (4)
C25—C301.392 (5)C67—H670.9500
C25—C261.405 (5)C68—C691.418 (4)
C26—C271.381 (5)
O1—Sn1—C8109.26 (11)C29—C28—H28120.2
O1—Sn1—C1109.37 (11)C30—C29—C28119.4 (3)
C8—Sn1—C1141.32 (13)C30—C29—H29120.3
O1—Sn1—N175.30 (9)C28—C29—H29120.3
C8—Sn1—N194.45 (11)C29—C30—C25122.6 (3)
C1—Sn1—N193.41 (12)C29—C30—Cl6118.7 (3)
O1—Sn1—Cl185.92 (7)C25—C30—Cl6118.7 (3)
C8—Sn1—Cl192.48 (9)C32—C31—Sn2120.2 (2)
C1—Sn1—Cl192.04 (10)C32—C31—H31A107.3
N1—Sn1—Cl1161.20 (7)Sn2—C31—H31A107.3
O2—Sn2—C31110.12 (11)C32—C31—H31B107.3
O2—Sn2—C24109.04 (11)Sn2—C31—H31B107.3
C31—Sn2—C24140.67 (13)H31A—C31—H31B106.9
O2—Sn2—N275.47 (9)C37—C32—C33115.7 (3)
C31—Sn2—N295.38 (11)C37—C32—C31123.0 (3)
C24—Sn2—N290.89 (12)C33—C32—C31121.2 (3)
O2—Sn2—Cl485.07 (7)C34—C33—C32122.1 (3)
C31—Sn2—Cl491.48 (9)C34—C33—H33119.0
C24—Sn2—Cl495.31 (10)C32—C33—H33119.0
N2—Sn2—Cl4160.53 (7)C33—C34—C35119.9 (3)
O3—Sn3—C47109.91 (11)C33—C34—H34120.0
O3—Sn3—C54112.76 (11)C35—C34—H34120.0
C47—Sn3—C54136.71 (13)C36—C35—C34120.1 (4)
O3—Sn3—N375.07 (9)C36—C35—H35120.0
C47—Sn3—N393.83 (11)C34—C35—H35120.0
C54—Sn3—N390.22 (11)C35—C36—C37118.8 (3)
O3—Sn3—Cl787.28 (6)C35—C36—H36120.6
C47—Sn3—Cl792.43 (9)C37—C36—H36120.6
C54—Sn3—Cl796.48 (10)C36—C37—C32123.4 (3)
N3—Sn3—Cl7162.35 (7)C36—C37—Cl5118.1 (3)
C22—O1—Sn1119.21 (19)C32—C37—Cl5118.5 (3)
C45—O2—Sn2119.16 (19)N2—C38—C39122.3 (3)
C68—O3—Sn3119.50 (19)N2—C38—H38118.8
C15—N1—C23118.8 (3)C39—C38—H38118.8
C15—N1—Sn1131.2 (2)C40—C39—C38119.2 (3)
C23—N1—Sn1110.0 (2)C40—C39—H39120.4
C38—N2—C46119.4 (3)C38—C39—H39120.4
C38—N2—Sn2131.1 (2)C39—C40—C41120.4 (3)
C46—N2—Sn2109.5 (2)C39—C40—H40119.8
C61—N3—C69119.3 (3)C41—C40—H40119.8
C61—N3—Sn3131.3 (2)C42—C41—C40125.1 (3)
C69—N3—Sn3109.4 (2)C42—C41—C46118.3 (3)
C2—C1—Sn1118.5 (2)C40—C41—C46116.5 (3)
C2—C1—H1A107.7C43—C42—C41119.8 (3)
Sn1—C1—H1A107.7C43—C42—H42120.1
C2—C1—H1B107.7C41—C42—H42120.1
Sn1—C1—H1B107.7C42—C43—C44121.9 (3)
H1A—C1—H1B107.1C42—C43—H43119.1
C7—C2—C3116.3 (3)C44—C43—H43119.1
C7—C2—C1123.6 (3)C45—C44—C43120.2 (3)
C3—C2—C1120.0 (3)C45—C44—H44119.9
C4—C3—C2122.3 (4)C43—C44—H44119.9
C4—C3—H3118.8O2—C45—C44122.2 (3)
C2—C3—H3118.8O2—C45—C46119.2 (3)
C5—C4—C3120.2 (4)C44—C45—C46118.6 (3)
C5—C4—H4119.9N2—C46—C45116.7 (3)
C3—C4—H4119.9N2—C46—C41122.1 (3)
C4—C5—C6120.0 (4)C45—C46—C41121.2 (3)
C4—C5—H5120.0C48—C47—Sn3116.1 (2)
C6—C5—H5120.0C48—C47—H47A108.3
C7—C6—C5118.8 (4)Sn3—C47—H47A108.3
C7—C6—H6120.6C48—C47—H47B108.3
C5—C6—H6120.6Sn3—C47—H47B108.3
C6—C7—C2122.3 (3)H47A—C47—H47B107.4
C6—C7—Cl2118.4 (3)C49—C48—C53117.4 (3)
C2—C7—Cl2119.3 (3)C49—C48—C47119.6 (3)
C9—C8—Sn1117.9 (2)C53—C48—C47123.0 (3)
C9—C8—H8A107.8C50—C49—C48121.0 (3)
Sn1—C8—H8A107.8C50—C49—H49119.5
C9—C8—H8B107.8C48—C49—H49119.5
Sn1—C8—H8B107.8C51—C50—C49120.2 (4)
H8A—C8—H8B107.2C51—C50—H50119.9
C14—C9—C10116.2 (3)C49—C50—H50119.9
C14—C9—C8122.4 (3)C50—C51—C52120.5 (3)
C10—C9—C8121.3 (3)C50—C51—H51119.7
C11—C10—C9121.3 (3)C52—C51—H51119.7
C11—C10—H10119.3C51—C52—C53118.6 (3)
C9—C10—H10119.3C51—C52—H52120.7
C12—C11—C10120.4 (3)C53—C52—H52120.7
C12—C11—H11119.8C52—C53—C48122.3 (3)
C10—C11—H11119.8C52—C53—Cl8118.5 (3)
C13—C12—C11119.7 (3)C48—C53—Cl8119.2 (3)
C13—C12—H12120.2C55—C54—Sn3113.5 (2)
C11—C12—H12120.2C55—C54—H54A108.9
C12—C13—C14119.0 (3)Sn3—C54—H54A108.9
C12—C13—H13120.5C55—C54—H54B108.9
C14—C13—H13120.5Sn3—C54—H54B108.9
C13—C14—C9123.3 (3)H54A—C54—H54B107.7
C13—C14—Cl3118.6 (2)C60—C55—C56115.9 (3)
C9—C14—Cl3118.1 (3)C60—C55—C54121.9 (3)
N1—C15—C16122.4 (3)C56—C55—C54122.1 (3)
N1—C15—H15118.8C57—C56—C55121.7 (3)
C16—C15—H15118.8C57—C56—H56119.1
C17—C16—C15119.4 (3)C55—C56—H56119.1
C17—C16—H16120.3C56—C57—C58120.5 (3)
C15—C16—H16120.3C56—C57—H57119.8
C16—C17—C18120.2 (3)C58—C57—H57119.8
C16—C17—H17119.9C57—C58—C59120.1 (3)
C18—C17—H17119.9C57—C58—H58119.9
C19—C18—C23118.6 (3)C59—C58—H58119.9
C19—C18—C17125.1 (3)C60—C59—C58118.3 (3)
C23—C18—C17116.4 (3)C60—C59—H59120.8
C20—C19—C18119.9 (3)C58—C59—H59120.8
C20—C19—H19120.1C59—C60—C55123.4 (3)
C18—C19—H19120.1C59—C60—Cl9118.3 (3)
C19—C20—C21121.8 (3)C55—C60—Cl9118.2 (3)
C19—C20—H20119.1N3—C61—C62122.1 (3)
C21—C20—H20119.1N3—C61—H61118.9
C22—C21—C20120.1 (3)C62—C61—H61118.9
C22—C21—H21120.0C63—C62—C61119.2 (3)
C20—C21—H21120.0C63—C62—H62120.4
O1—C22—C21122.1 (3)C61—C62—H62120.4
O1—C22—C23119.2 (3)C62—C63—C64120.4 (3)
C21—C22—C23118.6 (3)C62—C63—H63119.8
N1—C23—C18122.8 (3)C64—C63—H63119.8
N1—C23—C22116.3 (3)C65—C64—C69118.6 (3)
C18—C23—C22121.0 (3)C65—C64—C63125.0 (3)
C25—C24—Sn2117.0 (2)C69—C64—C63116.5 (3)
C25—C24—H24A108.1C66—C65—C64119.9 (3)
Sn2—C24—H24A108.1C66—C65—H65120.0
C25—C24—H24B108.1C64—C65—H65120.0
Sn2—C24—H24B108.1C65—C66—C67121.5 (3)
H24A—C24—H24B107.3C65—C66—H66119.2
C30—C25—C26116.6 (3)C67—C66—H66119.2
C30—C25—C24122.2 (3)C68—C67—C66120.3 (3)
C26—C25—C24121.1 (3)C68—C67—H67119.9
C27—C26—C25120.9 (3)C66—C67—H67119.9
C27—C26—H26119.5O3—C68—C67121.9 (3)
C25—C26—H26119.5O3—C68—C69119.5 (3)
C28—C27—C26121.0 (3)C67—C68—C69118.7 (3)
C28—C27—H27119.5N3—C69—C64122.5 (3)
C26—C27—H27119.5N3—C69—C68116.5 (3)
C27—C28—C29119.5 (3)C64—C69—C68121.0 (3)
C27—C28—H28120.2
C8—Sn1—O1—C2289.9 (2)C28—C29—C30—Cl6179.1 (3)
C1—Sn1—O1—C22−88.1 (2)C26—C25—C30—C29−1.7 (5)
N1—Sn1—O1—C220.3 (2)C24—C25—C30—C29178.5 (3)
Cl1—Sn1—O1—C22−178.8 (2)C26—C25—C30—Cl6−179.5 (2)
C31—Sn2—O2—C45−91.2 (2)C24—C25—C30—Cl60.7 (4)
C24—Sn2—O2—C4585.1 (2)O2—Sn2—C31—C3292.9 (3)
N2—Sn2—O2—C45−0.7 (2)C24—Sn2—C31—C32−81.6 (3)
Cl4—Sn2—O2—C45179.0 (2)N2—Sn2—C31—C3216.4 (3)
C47—Sn3—O3—C6891.4 (2)Cl4—Sn2—C31—C32178.2 (3)
C54—Sn3—O3—C68−81.2 (2)Sn2—C31—C32—C3772.5 (4)
N3—Sn3—O3—C682.7 (2)Sn2—C31—C32—C33−110.9 (3)
Cl7—Sn3—O3—C68−177.0 (2)C37—C32—C33—C341.9 (5)
O1—Sn1—N1—C15−178.2 (3)C31—C32—C33—C34−174.9 (3)
C8—Sn1—N1—C1573.1 (3)C32—C33—C34—C35−1.3 (6)
C1—Sn1—N1—C15−69.0 (3)C33—C34—C35—C36−0.4 (6)
Cl1—Sn1—N1—C15−175.6 (2)C34—C35—C36—C371.3 (6)
O1—Sn1—N1—C23−0.01 (19)C35—C36—C37—C32−0.6 (5)
C8—Sn1—N1—C23−108.8 (2)C35—C36—C37—Cl5178.2 (3)
C1—Sn1—N1—C23109.1 (2)C33—C32—C37—C36−1.0 (5)
Cl1—Sn1—N1—C232.5 (4)C31—C32—C37—C36175.8 (3)
O2—Sn2—N2—C38177.9 (3)C33—C32—C37—Cl5−179.7 (3)
C31—Sn2—N2—C38−72.6 (3)C31—C32—C37—Cl5−2.9 (4)
C24—Sn2—N2—C3868.5 (3)C46—N2—C38—C390.1 (5)
Cl4—Sn2—N2—C38177.2 (2)Sn2—N2—C38—C39−177.2 (2)
O2—Sn2—N2—C460.46 (19)N2—C38—C39—C40−0.6 (5)
C31—Sn2—N2—C46109.9 (2)C38—C39—C40—C410.1 (5)
C24—Sn2—N2—C46−109.0 (2)C39—C40—C41—C42−179.6 (3)
Cl4—Sn2—N2—C46−0.2 (4)C39—C40—C41—C460.6 (5)
O3—Sn3—N3—C61179.1 (3)C40—C41—C42—C43−177.3 (3)
C47—Sn3—N3—C6169.5 (3)C46—C41—C42—C432.4 (5)
C54—Sn3—N3—C61−67.4 (3)C41—C42—C43—C44−1.2 (5)
Cl7—Sn3—N3—C61−180.0 (2)C42—C43—C44—C45−0.3 (5)
O3—Sn3—N3—C69−1.12 (19)Sn2—O2—C45—C44−179.0 (2)
C47—Sn3—N3—C69−110.7 (2)Sn2—O2—C45—C460.9 (4)
C54—Sn3—N3—C69112.4 (2)C43—C44—C45—O2−179.5 (3)
Cl7—Sn3—N3—C69−0.2 (4)C43—C44—C45—C460.5 (5)
O1—Sn1—C1—C2121.1 (3)C38—N2—C46—C45−178.0 (3)
C8—Sn1—C1—C2−56.0 (4)Sn2—N2—C46—C45−0.2 (3)
N1—Sn1—C1—C245.5 (3)C38—N2—C46—C410.8 (5)
Cl1—Sn1—C1—C2−152.5 (3)Sn2—N2—C46—C41178.6 (2)
Sn1—C1—C2—C792.8 (4)O2—C45—C46—N2−0.5 (4)
Sn1—C1—C2—C3−86.5 (4)C44—C45—C46—N2179.5 (3)
C7—C2—C3—C4−1.5 (5)O2—C45—C46—C41−179.2 (3)
C1—C2—C3—C4177.9 (3)C44—C45—C46—C410.7 (5)
C2—C3—C4—C50.6 (6)C42—C41—C46—N2179.2 (3)
C3—C4—C5—C60.6 (6)C40—C41—C46—N2−1.1 (5)
C4—C5—C6—C7−0.8 (6)C42—C41—C46—C45−2.2 (5)
C5—C6—C7—C2−0.2 (5)C40—C41—C46—C45177.6 (3)
C5—C6—C7—Cl2178.2 (3)O3—Sn3—C47—C48−74.1 (2)
C3—C2—C7—C61.3 (5)C54—Sn3—C47—C4895.8 (3)
C1—C2—C7—C6−178.1 (3)N3—Sn3—C47—C481.4 (2)
C3—C2—C7—Cl2−177.1 (3)Cl7—Sn3—C47—C48−162.1 (2)
C1—C2—C7—Cl23.5 (5)Sn3—C47—C48—C4987.5 (3)
O1—Sn1—C8—C9−98.9 (2)Sn3—C47—C48—C53−91.6 (3)
C1—Sn1—C8—C978.1 (3)C53—C48—C49—C50−0.2 (5)
N1—Sn1—C8—C9−23.0 (3)C47—C48—C49—C50−179.3 (3)
Cl1—Sn1—C8—C9174.5 (2)C48—C49—C50—C510.9 (6)
Sn1—C8—C9—C14−69.7 (4)C49—C50—C51—C52−1.2 (6)
Sn1—C8—C9—C10111.7 (3)C50—C51—C52—C530.6 (6)
C14—C9—C10—C11−1.1 (5)C51—C52—C53—C480.2 (5)
C8—C9—C10—C11177.6 (3)C51—C52—C53—Cl8−179.7 (3)
C9—C10—C11—C120.7 (6)C49—C48—C53—C52−0.4 (5)
C10—C11—C12—C13−0.4 (6)C47—C48—C53—C52178.7 (3)
C11—C12—C13—C140.5 (5)C49—C48—C53—Cl8179.5 (2)
C12—C13—C14—C9−0.9 (5)C47—C48—C53—Cl8−1.4 (4)
C12—C13—C14—Cl3178.5 (3)O3—Sn3—C54—C55138.4 (2)
C10—C9—C14—C131.2 (5)C47—Sn3—C54—C55−31.3 (3)
C8—C9—C14—C13−177.4 (3)N3—Sn3—C54—C5564.5 (2)
C10—C9—C14—Cl3−178.2 (2)Cl7—Sn3—C54—C55−131.8 (2)
C8—C9—C14—Cl33.2 (4)Sn3—C54—C55—C6068.4 (4)
C23—N1—C15—C16−0.2 (5)Sn3—C54—C55—C56−110.4 (3)
Sn1—N1—C15—C16177.8 (2)C60—C55—C56—C57−0.8 (5)
N1—C15—C16—C170.9 (5)C54—C55—C56—C57178.0 (3)
C15—C16—C17—C18−0.7 (5)C55—C56—C57—C58−0.5 (5)
C16—C17—C18—C19−179.1 (3)C56—C57—C58—C591.2 (5)
C16—C17—C18—C23−0.3 (5)C57—C58—C59—C60−0.5 (5)
C23—C18—C19—C20−1.4 (5)C58—C59—C60—C55−0.9 (5)
C17—C18—C19—C20177.5 (3)C58—C59—C60—Cl9180.0 (3)
C18—C19—C20—C210.4 (5)C56—C55—C60—C591.5 (5)
C19—C20—C21—C220.9 (5)C54—C55—C60—C59−177.3 (3)
Sn1—O1—C22—C21178.7 (2)C56—C55—C60—Cl9−179.3 (2)
Sn1—O1—C22—C23−0.6 (4)C54—C55—C60—Cl91.8 (4)
C20—C21—C22—O1179.5 (3)C69—N3—C61—C62−0.4 (5)
C20—C21—C22—C23−1.1 (5)Sn3—N3—C61—C62179.3 (2)
C15—N1—C23—C18−0.8 (5)N3—C61—C62—C630.5 (5)
Sn1—N1—C23—C18−179.2 (2)C61—C62—C63—C64−0.4 (5)
C15—N1—C23—C22178.1 (3)C62—C63—C64—C65−178.2 (3)
Sn1—N1—C23—C22−0.3 (3)C62—C63—C64—C690.3 (5)
C19—C18—C23—N1179.9 (3)C69—C64—C65—C66−1.2 (5)
C17—C18—C23—N11.0 (5)C63—C64—C65—C66177.2 (3)
C19—C18—C23—C221.1 (5)C64—C65—C66—C671.6 (5)
C17—C18—C23—C22−177.8 (3)C65—C66—C67—C680.1 (5)
O1—C22—C23—N10.6 (4)Sn3—O3—C68—C67175.5 (2)
C21—C22—C23—N1−178.8 (3)Sn3—O3—C68—C69−4.0 (4)
O1—C22—C23—C18179.5 (3)C66—C67—C68—O3178.4 (3)
C21—C22—C23—C180.2 (4)C66—C67—C68—C69−2.0 (5)
O2—Sn2—C24—C25−139.5 (2)C61—N3—C69—C640.3 (5)
C31—Sn2—C24—C2535.0 (4)Sn3—N3—C69—C64−179.5 (2)
N2—Sn2—C24—C25−64.6 (3)C61—N3—C69—C68179.4 (3)
Cl4—Sn2—C24—C25133.9 (3)Sn3—N3—C69—C68−0.4 (3)
Sn2—C24—C25—C30−80.0 (4)C65—C64—C69—N3178.4 (3)
Sn2—C24—C25—C26100.2 (3)C63—C64—C69—N3−0.2 (5)
C30—C25—C26—C270.8 (5)C65—C64—C69—C68−0.7 (5)
C24—C25—C26—C27−179.4 (3)C63—C64—C69—C68−179.3 (3)
C25—C26—C27—C280.4 (5)O3—C68—C69—N32.8 (4)
C26—C27—C28—C29−0.9 (6)C67—C68—C69—N3−176.8 (3)
C27—C28—C29—C300.1 (5)O3—C68—C69—C64−178.1 (3)
C28—C29—C30—C251.2 (5)C67—C68—C69—C642.3 (5)
  2 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Bis(μ-quinolin-8-olato)-κN,O:O;κO:N,O-bis-[chloridomethyl-phenyl-tin(IV)].

Authors:  Maryam Vafaee; Mostafa M Amini; Seik Weng Ng
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-07-17
  2 in total

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