metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Tri­benzyl­chlorido(tri­phenyl­phosphine oxide-κO)tin(IV)

aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my

(Received 12 May 2011; accepted 24 May 2011; online 28 May 2011)

In the title tribenzyl­chloridotin–triphenyl­phosphine adduct, [Sn(C7H7)3Cl(C18H15OP)], the SnIV atom is in a trans-C3SnClO trigonal–bipyramidal geometry and is displaced out of the C3Sn girdle in the direction of the axial Cl atom by 0.112 (1) in one independent mol­ecule and by 0.167 (1) Å in the other. The phenyl ring of one of the six benzyl units was refined as equally disordered over two sets of sites.

Related literature

For the trimethyl­tin chloride–triphenyl­phosphine adduct, see: Davis et al. (2007[Davis, M. F., Levason, W., Ratnani, R., Reid, G., Rose, T. & Webster, M. (2007). Eur. J. Inorg. Chem. pp. 306-313.]). For the analogous triphenyl­tin chloride adduct, see: de Castro et al. (2001[Castro, V. D. de, Filgueiras, C. A. L., de Lima, M. T. P., Gambardella, M. T. P. & Speziali, N. L. (2001). Main Group Met. Chem. 24, 761-764.]); Eppley et al. (1992[Eppley, H. J., Ealy, J. L., Yoder, C. H., Spencer, J. N. & Rheingold, A. L. (1992). J. Organomet. Chem. 431, 133-142.]); Ng & Kumar Das (1992[Ng, S. W. & Kumar Das, V. G. (1992). Acta Cryst. C48, 1839-1841.]).

[Scheme 1]

Experimental

Crystal data
  • [Sn(C7H7)3Cl(C18H15OP)]

  • Mr = 705.81

  • Monoclinic, P 21 /c

  • a = 10.0697 (1) Å

  • b = 31.8793 (4) Å

  • c = 21.3259 (3) Å

  • β = 100.4304 (6)°

  • V = 6732.81 (14) Å3

  • Z = 8

  • Mo Kα radiation

  • μ = 0.92 mm−1

  • T = 100 K

  • 0.30 × 0.25 × 0.20 mm

Data collection
  • Bruker SMART APEX diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.771, Tmax = 0.838

  • 62453 measured reflections

  • 15456 independent reflections

  • 13210 reflections with I > 2σ(I)

  • Rint = 0.047

Refinement
  • R[F2 > 2σ(F2)] = 0.031

  • wR(F2) = 0.072

  • S = 1.03

  • 15456 reflections

  • 769 parameters

  • 37 restraints

  • H-atom parameters constrained

  • Δρmax = 0.76 e Å−3

  • Δρmin = −0.67 e Å−3

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


Comment top

Triorganotin halides, being strong Lewis acids, form a large number of adducts with oxygen-donor ligands. With triphenylphosphine oxide in particular, the crystal structures of the adducts with trimethyltin chloride (Davis et al., 2007) and triphenyltin chloride (de Castro et al., 2001; Eppley et al., 1992; Ng & Kumar Das, 1992) have been reported. The tribenzylchloridotin–triphenylphosphine adduct (Scheme I) has the SnIV atom in a trans-C3SnClO trigonal bipyramidal geometry. The Sn atom is displaced out of the C3Sn girdle in the direction of the axial Cl atom [by 0.112 (1) Å in one independent molecule (Fig. 1) and by 0.167 (1) Å in the other independent molecule (Fig. 2)].

Related literature top

For the trimethyltin chloride–triphenylphosphine adduct, see: Davis et al. (2007). For the analogous triphenyltin chloride adduct, see: de Castro et al. (2001); Eppley et al. (1992); Ng & Kumar Das (1992).

Experimental top

Tribenzyltin chloride (0.42, 1 mmol) and triphenylphosphine oxide (0.28 g, 1 mmol) were heated in chloroform (20 ml) until the reactants dissolved completely. The filtered solution was set aside for the growth of colorless crystals, which separated after a day.

Refinement top

Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.99 Å) and were included in the refinement in the riding model approximation, with Uiso(H) set to 1.2Ueq(C). The phenyl ring of one of the six benzyl units is disordered over two positions; the occupancy could not be refined, and was assumed to be a 0.5: 0.5 type of disorder. The rings were refined as rigid hexagons of 1.39 Å sides, the Cmethylene–Cphenyl pair of distances were restrained to within ±0.01 Å of each other, and the displacement parameters of the primed atoms were set to those of the unprimed ones. The anisotropic displacement parameters were restrained to be nearly isotropic.

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); 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).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of one independent (C6H5CH2)3SnCl.OP(C6H5)3 adduct at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius.
[Figure 2] Fig. 2. Thermal ellipsoid plot (Barbour, 2001) of the second independent (C6H5CH2)3SnCl.OP(C6H5)3 adduct at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius.
Tribenzylchlorido(triphenylphosphine oxide-κO)tin(IV) top
Crystal data top
[Sn(C7H7)3Cl(C18H15OP)]F(000) = 2880
Mr = 705.81Dx = 1.393 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9802 reflections
a = 10.0697 (1) Åθ = 2.5–28.3°
b = 31.8793 (4) ŵ = 0.92 mm1
c = 21.3259 (3) ÅT = 100 K
β = 100.4304 (6)°Block, colorless
V = 6732.81 (14) Å30.30 × 0.25 × 0.20 mm
Z = 8
Data collection top
Bruker SMART APEX
diffractometer
15456 independent reflections
Radiation source: fine-focus sealed tube13210 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
ω scansθmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1312
Tmin = 0.771, Tmax = 0.838k = 4141
62453 measured reflectionsl = 2727
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)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0298P)2 + 4.2265P]
where P = (Fo2 + 2Fc2)/3
15456 reflections(Δ/σ)max = 0.001
769 parametersΔρmax = 0.76 e Å3
37 restraintsΔρmin = 0.67 e Å3
Crystal data top
[Sn(C7H7)3Cl(C18H15OP)]V = 6732.81 (14) Å3
Mr = 705.81Z = 8
Monoclinic, P21/cMo Kα radiation
a = 10.0697 (1) ŵ = 0.92 mm1
b = 31.8793 (4) ÅT = 100 K
c = 21.3259 (3) Å0.30 × 0.25 × 0.20 mm
β = 100.4304 (6)°
Data collection top
Bruker SMART APEX
diffractometer
15456 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
13210 reflections with I > 2σ(I)
Tmin = 0.771, Tmax = 0.838Rint = 0.047
62453 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.03137 restraints
wR(F2) = 0.072H-atom parameters constrained
S = 1.03Δρmax = 0.76 e Å3
15456 reflectionsΔρmin = 0.67 e Å3
769 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sn10.745692 (13)0.778572 (4)0.606789 (7)0.01401 (4)
Sn20.223618 (13)0.512678 (4)0.776274 (7)0.01688 (4)
Cl10.91606 (5)0.764087 (17)0.70807 (3)0.02120 (11)
Cl20.06400 (5)0.53153 (2)0.84882 (3)0.02915 (13)
P10.49337 (5)0.801792 (18)0.45899 (3)0.01764 (12)
P20.43088 (5)0.490489 (17)0.64836 (3)0.01656 (11)
O10.58536 (15)0.78523 (5)0.51702 (7)0.0214 (3)
O20.36436 (15)0.48998 (5)0.70558 (8)0.0213 (3)
C10.6501 (2)0.82902 (6)0.64850 (11)0.0176 (4)
H1A0.71350.84060.68540.021*0.50
H1B0.62640.85170.61680.021*0.50
H1C0.70780.83770.68900.021*0.50
H1D0.63900.85340.61930.021*0.50
C20.5231 (7)0.8136 (5)0.6703 (6)0.0146 (9)0.50
C30.3967 (9)0.8271 (4)0.6397 (6)0.0218 (9)0.50
H30.38950.84660.60560.026*0.50
C40.2809 (6)0.8122 (3)0.6592 (4)0.0297 (14)0.50
H40.19450.82150.63830.036*0.50
C50.2915 (5)0.7837 (3)0.7092 (3)0.0302 (17)0.50
H50.21230.77360.72240.036*0.50
C60.4179 (6)0.7702 (3)0.7397 (3)0.0252 (13)0.50
H60.42510.75070.77390.030*0.50
C70.5337 (4)0.7851 (4)0.7203 (5)0.0179 (12)0.50
H70.62010.77580.74120.022*0.50
C2'0.5136 (6)0.8155 (5)0.6611 (6)0.0146 (9)0.50
C3'0.3951 (9)0.8342 (4)0.6301 (6)0.0218 (9)0.50
H3'0.39860.85530.59890.026*0.50
C4'0.2716 (7)0.8221 (3)0.6447 (5)0.0297 (14)0.50
H4'0.19060.83490.62340.036*0.50
C5'0.2666 (5)0.7913 (3)0.6903 (3)0.0302 (17)0.50
H5'0.18220.78300.70030.036*0.50
C6'0.3851 (6)0.7726 (2)0.7213 (3)0.0252 (13)0.50
H6'0.38170.75150.75250.030*0.50
C7'0.5086 (5)0.7847 (4)0.7067 (5)0.0179 (12)0.50
H7'0.58960.77190.72800.022*0.50
C80.6655 (2)0.71581 (6)0.60576 (11)0.0192 (4)
H8A0.68130.70430.64960.023*
H8B0.56700.71630.58970.023*
C90.7327 (2)0.68875 (6)0.56402 (11)0.0192 (4)
C100.8666 (2)0.67583 (7)0.58421 (12)0.0220 (5)
H100.91370.68460.62480.026*
C110.9316 (2)0.65072 (7)0.54676 (13)0.0289 (5)
H111.02220.64220.56180.035*
C120.8653 (3)0.63771 (8)0.48707 (13)0.0316 (6)
H120.90970.62030.46120.038*
C130.7334 (3)0.65053 (8)0.46588 (12)0.0323 (6)
H130.68740.64200.42500.039*
C140.6678 (2)0.67567 (7)0.50365 (12)0.0251 (5)
H140.57740.68420.48830.030*
C150.9002 (2)0.79212 (7)0.55210 (11)0.0193 (4)
H15A0.98860.78270.57620.023*
H15B0.88150.77620.51160.023*
C160.90819 (19)0.83807 (7)0.53749 (11)0.0195 (5)
C170.8965 (2)0.85230 (8)0.47475 (11)0.0239 (5)
H170.88430.83270.44070.029*
C180.9026 (2)0.89505 (8)0.46176 (13)0.0323 (6)
H180.89430.90440.41890.039*
C190.9207 (2)0.92386 (8)0.51074 (14)0.0325 (6)
H190.92410.95300.50160.039*
C200.9340 (2)0.91035 (8)0.57303 (14)0.0287 (6)
H200.94750.93010.60690.034*
C210.9278 (2)0.86774 (7)0.58619 (12)0.0224 (5)
H210.93700.85870.62920.027*
C220.3438 (2)0.76998 (7)0.44126 (11)0.0206 (5)
C230.3007 (2)0.74912 (8)0.49142 (12)0.0292 (5)
H230.35220.75090.53330.035*
C240.1823 (3)0.72574 (9)0.47991 (14)0.0367 (6)
H240.15280.71140.51400.044*
C250.1072 (3)0.72329 (8)0.41898 (15)0.0365 (7)
H250.02660.70720.41120.044*
C260.1490 (2)0.74414 (8)0.36953 (13)0.0338 (6)
H260.09650.74250.32780.041*
C270.2671 (2)0.76754 (8)0.37998 (12)0.0261 (5)
H270.29550.78180.34560.031*
C280.4403 (2)0.85444 (7)0.46948 (10)0.0196 (4)
C290.3045 (2)0.86599 (8)0.46075 (11)0.0240 (5)
H290.23580.84580.44770.029*
C300.2704 (2)0.90737 (8)0.47138 (12)0.0291 (5)
H300.17810.91550.46510.035*
C310.3696 (3)0.93652 (8)0.49099 (12)0.0281 (5)
H310.34560.96470.49830.034*
C320.5051 (2)0.92508 (7)0.50027 (11)0.0256 (5)
H320.57320.94540.51420.031*
C330.5408 (2)0.88433 (7)0.48930 (11)0.0217 (5)
H330.63330.87660.49520.026*
C340.5789 (2)0.80212 (7)0.39232 (10)0.0191 (4)
C350.5664 (2)0.83505 (8)0.34867 (11)0.0256 (5)
H350.50410.85710.35130.031*
C360.6445 (3)0.83575 (8)0.30150 (12)0.0300 (5)
H360.63580.85830.27190.036*
C370.7348 (2)0.80389 (8)0.29743 (12)0.0286 (5)
H370.78950.80480.26550.034*
C380.7462 (2)0.77050 (8)0.33961 (12)0.0271 (5)
H380.80750.74830.33610.033*
C390.6690 (2)0.76942 (7)0.38665 (12)0.0233 (5)
H390.67680.74640.41540.028*
C400.0634 (2)0.49702 (7)0.69772 (11)0.0196 (4)
H40A0.01780.51400.70000.024*
H40B0.09230.50310.65670.024*
C410.0315 (2)0.45124 (7)0.70179 (10)0.0184 (4)
C420.0702 (2)0.43763 (7)0.73324 (12)0.0255 (5)
H420.12290.45770.75080.031*
C430.0958 (3)0.39515 (8)0.73924 (13)0.0330 (6)
H430.16610.38650.76060.040*
C440.0199 (3)0.36541 (8)0.71439 (12)0.0326 (6)
H440.03700.33640.71900.039*
C450.0811 (3)0.37840 (8)0.68280 (13)0.0311 (6)
H450.13380.35820.66550.037*
C460.1058 (2)0.42074 (7)0.67619 (12)0.0244 (5)
H460.17470.42920.65380.029*
C470.3230 (2)0.46353 (7)0.83715 (11)0.0224 (5)
H47A0.28810.46350.87770.027*
H47B0.30080.43610.81620.027*
C480.4739 (2)0.46884 (7)0.85147 (11)0.0199 (5)
C490.5328 (2)0.50544 (7)0.87912 (11)0.0246 (5)
H490.47660.52730.88970.030*
C500.6715 (2)0.51072 (8)0.89150 (12)0.0301 (6)
H500.70930.53630.90920.036*
C510.7549 (2)0.47891 (9)0.87814 (13)0.0329 (6)
H510.85020.48240.88670.040*
C520.6986 (2)0.44201 (9)0.85232 (12)0.0314 (6)
H520.75550.41970.84390.038*
C530.5594 (2)0.43704 (8)0.83842 (11)0.0253 (5)
H530.52210.41160.81980.030*
C540.3345 (2)0.57118 (7)0.78922 (12)0.0223 (5)
H54A0.34240.57950.83450.027*
H54B0.42710.56550.78180.027*
C550.2812 (2)0.60816 (7)0.74926 (12)0.0240 (5)
C560.1711 (2)0.63098 (8)0.76282 (14)0.0316 (6)
H560.12580.62180.79570.038*
C570.1275 (3)0.66700 (8)0.72840 (16)0.0412 (8)
H570.05320.68240.73820.049*
C580.1913 (3)0.68039 (8)0.68034 (16)0.0430 (8)
H580.16070.70500.65690.052*
C590.3001 (3)0.65814 (8)0.66595 (14)0.0399 (7)
H590.34420.66740.63260.048*
C600.3445 (2)0.62220 (7)0.70057 (13)0.0291 (6)
H600.41930.60710.69070.035*
C610.3140 (2)0.50362 (7)0.57643 (11)0.0188 (4)
C620.2527 (2)0.54308 (7)0.57332 (11)0.0230 (5)
H620.27610.56230.60760.028*
C630.1583 (2)0.55421 (7)0.52060 (12)0.0263 (5)
H630.11710.58110.51870.032*
C640.1233 (2)0.52634 (8)0.47043 (12)0.0272 (5)
H640.05920.53430.43400.033*
C650.1815 (2)0.48715 (8)0.47342 (12)0.0260 (5)
H650.15640.46790.43930.031*
C660.2774 (2)0.47558 (7)0.52646 (11)0.0210 (5)
H660.31750.44850.52830.025*
C670.5046 (2)0.44010 (7)0.63761 (11)0.0191 (4)
C680.4809 (2)0.40737 (7)0.67713 (11)0.0234 (5)
H680.42420.41160.70770.028*
C690.5402 (3)0.36846 (7)0.67200 (13)0.0304 (6)
H690.52530.34620.69960.036*
C700.6202 (2)0.36205 (8)0.62716 (13)0.0317 (6)
H700.65970.33530.62350.038*
C710.6435 (3)0.39442 (8)0.58721 (14)0.0323 (6)
H710.69850.38970.55610.039*
C720.5872 (2)0.43357 (7)0.59241 (12)0.0259 (5)
H720.60450.45590.56540.031*
C730.5639 (2)0.52880 (6)0.65812 (11)0.0180 (4)
C740.6488 (2)0.53007 (7)0.71749 (12)0.0226 (5)
H740.63550.51090.74990.027*
C750.7525 (2)0.55922 (8)0.72939 (12)0.0272 (5)
H750.81100.55980.76970.033*
C760.7707 (2)0.58743 (7)0.68228 (13)0.0281 (5)
H760.84110.60760.69060.034*
C770.6869 (2)0.58641 (7)0.62312 (13)0.0267 (5)
H770.70010.60580.59100.032*
C780.5839 (2)0.55707 (7)0.61074 (11)0.0222 (5)
H780.52690.55620.57010.027*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.01355 (7)0.01552 (7)0.01280 (7)0.00046 (5)0.00199 (5)0.00052 (5)
Sn20.01476 (7)0.01836 (7)0.01724 (8)0.00094 (5)0.00209 (6)0.00184 (6)
Cl10.0198 (2)0.0239 (3)0.0176 (3)0.00029 (19)0.0027 (2)0.0027 (2)
Cl20.0197 (2)0.0408 (3)0.0283 (3)0.0025 (2)0.0080 (2)0.0129 (3)
P10.0155 (2)0.0235 (3)0.0129 (3)0.0010 (2)0.0002 (2)0.0011 (2)
P20.0175 (2)0.0176 (3)0.0151 (3)0.00056 (19)0.0045 (2)0.0012 (2)
O10.0207 (7)0.0254 (8)0.0156 (8)0.0029 (6)0.0034 (6)0.0026 (6)
O20.0206 (7)0.0256 (8)0.0185 (8)0.0002 (6)0.0059 (6)0.0011 (7)
C10.0190 (9)0.0179 (10)0.0158 (11)0.0001 (8)0.0033 (8)0.0019 (8)
C20.0165 (11)0.0155 (14)0.011 (3)0.0012 (11)0.0004 (14)0.0034 (16)
C30.0232 (11)0.022 (3)0.018 (3)0.0070 (15)0.0010 (14)0.0009 (16)
C40.0142 (13)0.027 (4)0.043 (4)0.0098 (17)0.0069 (18)0.009 (3)
C50.023 (2)0.026 (3)0.044 (5)0.005 (2)0.012 (3)0.009 (3)
C60.031 (3)0.0271 (16)0.019 (4)0.005 (2)0.007 (3)0.001 (2)
C70.0181 (18)0.0218 (12)0.012 (4)0.000 (2)0.003 (2)0.003 (2)
C2'0.0165 (11)0.0155 (14)0.011 (3)0.0012 (11)0.0004 (14)0.0034 (16)
C3'0.0232 (11)0.022 (3)0.018 (3)0.0070 (15)0.0010 (14)0.0009 (16)
C4'0.0142 (13)0.027 (4)0.043 (4)0.0098 (17)0.0069 (18)0.009 (3)
C5'0.023 (2)0.026 (3)0.044 (5)0.005 (2)0.012 (3)0.009 (3)
C6'0.031 (3)0.0271 (16)0.019 (4)0.005 (2)0.007 (3)0.001 (2)
C7'0.0181 (18)0.0218 (12)0.012 (4)0.000 (2)0.003 (2)0.003 (2)
C80.0185 (10)0.0198 (10)0.0185 (11)0.0025 (8)0.0014 (9)0.0014 (9)
C90.0236 (10)0.0145 (10)0.0192 (11)0.0029 (8)0.0032 (9)0.0029 (9)
C100.0227 (10)0.0189 (10)0.0226 (12)0.0029 (8)0.0012 (9)0.0028 (9)
C110.0249 (11)0.0258 (12)0.0347 (15)0.0008 (9)0.0023 (10)0.0050 (11)
C120.0409 (14)0.0253 (12)0.0303 (14)0.0037 (10)0.0111 (12)0.0091 (11)
C130.0449 (14)0.0266 (12)0.0219 (13)0.0008 (11)0.0034 (11)0.0063 (10)
C140.0273 (11)0.0226 (11)0.0224 (13)0.0013 (9)0.0032 (10)0.0015 (10)
C150.0173 (10)0.0226 (11)0.0186 (11)0.0017 (8)0.0050 (9)0.0002 (9)
C160.0098 (9)0.0263 (11)0.0229 (12)0.0001 (8)0.0038 (8)0.0040 (9)
C170.0189 (10)0.0324 (12)0.0205 (12)0.0018 (9)0.0036 (9)0.0041 (10)
C180.0226 (11)0.0411 (15)0.0324 (15)0.0038 (10)0.0025 (10)0.0183 (12)
C190.0204 (11)0.0255 (12)0.0512 (18)0.0037 (9)0.0048 (11)0.0118 (12)
C200.0169 (10)0.0263 (12)0.0436 (16)0.0023 (9)0.0070 (10)0.0039 (11)
C210.0157 (10)0.0277 (12)0.0240 (12)0.0004 (8)0.0041 (9)0.0003 (10)
C220.0188 (10)0.0227 (11)0.0194 (12)0.0014 (8)0.0012 (9)0.0009 (9)
C230.0225 (11)0.0401 (14)0.0235 (13)0.0035 (10)0.0005 (10)0.0041 (11)
C240.0269 (12)0.0443 (16)0.0389 (17)0.0067 (11)0.0060 (12)0.0093 (13)
C250.0222 (12)0.0379 (14)0.0474 (18)0.0073 (10)0.0006 (12)0.0036 (13)
C260.0280 (12)0.0382 (14)0.0311 (15)0.0018 (10)0.0054 (11)0.0097 (12)
C270.0235 (11)0.0330 (13)0.0209 (12)0.0005 (9)0.0017 (9)0.0031 (10)
C280.0212 (10)0.0241 (11)0.0130 (11)0.0027 (8)0.0019 (8)0.0016 (9)
C290.0208 (10)0.0321 (12)0.0189 (12)0.0015 (9)0.0030 (9)0.0006 (10)
C300.0255 (11)0.0398 (14)0.0227 (13)0.0116 (10)0.0062 (10)0.0002 (11)
C310.0405 (13)0.0268 (12)0.0188 (12)0.0085 (10)0.0101 (10)0.0006 (10)
C320.0322 (12)0.0289 (12)0.0162 (12)0.0019 (10)0.0055 (10)0.0020 (10)
C330.0212 (10)0.0278 (12)0.0160 (11)0.0009 (9)0.0027 (9)0.0029 (9)
C340.0173 (9)0.0265 (11)0.0124 (11)0.0009 (8)0.0000 (8)0.0014 (9)
C350.0284 (11)0.0289 (12)0.0199 (12)0.0065 (9)0.0051 (10)0.0038 (10)
C360.0381 (13)0.0347 (14)0.0182 (13)0.0013 (11)0.0081 (11)0.0059 (10)
C370.0253 (11)0.0421 (14)0.0192 (12)0.0029 (10)0.0062 (10)0.0070 (11)
C380.0229 (11)0.0335 (13)0.0248 (13)0.0042 (9)0.0040 (10)0.0068 (11)
C390.0232 (11)0.0239 (11)0.0219 (12)0.0010 (9)0.0019 (9)0.0019 (9)
C400.0172 (9)0.0224 (11)0.0186 (11)0.0008 (8)0.0017 (8)0.0004 (9)
C410.0178 (9)0.0221 (11)0.0132 (11)0.0010 (8)0.0030 (8)0.0025 (9)
C420.0261 (11)0.0278 (12)0.0240 (13)0.0045 (9)0.0078 (10)0.0065 (10)
C430.0440 (14)0.0332 (14)0.0243 (14)0.0148 (11)0.0123 (12)0.0031 (11)
C440.0497 (15)0.0202 (12)0.0252 (14)0.0084 (11)0.0003 (12)0.0011 (10)
C450.0342 (13)0.0250 (12)0.0324 (15)0.0029 (10)0.0015 (11)0.0068 (11)
C460.0232 (11)0.0253 (12)0.0252 (13)0.0021 (9)0.0058 (9)0.0050 (10)
C470.0181 (10)0.0317 (12)0.0166 (11)0.0013 (9)0.0009 (9)0.0094 (10)
C480.0206 (10)0.0253 (11)0.0135 (11)0.0005 (8)0.0023 (8)0.0032 (9)
C490.0252 (11)0.0270 (12)0.0196 (12)0.0021 (9)0.0013 (9)0.0016 (10)
C500.0285 (12)0.0322 (13)0.0257 (14)0.0072 (10)0.0058 (10)0.0070 (11)
C510.0190 (11)0.0533 (17)0.0263 (14)0.0002 (10)0.0034 (10)0.0134 (12)
C520.0271 (12)0.0478 (16)0.0210 (13)0.0137 (11)0.0086 (10)0.0062 (11)
C530.0297 (12)0.0280 (12)0.0176 (12)0.0046 (9)0.0028 (10)0.0008 (10)
C540.0189 (10)0.0183 (10)0.0286 (13)0.0019 (8)0.0018 (9)0.0050 (9)
C550.0221 (10)0.0201 (11)0.0269 (13)0.0013 (8)0.0036 (9)0.0062 (10)
C560.0275 (12)0.0280 (13)0.0359 (15)0.0041 (10)0.0033 (11)0.0063 (11)
C570.0343 (14)0.0275 (13)0.054 (2)0.0082 (11)0.0125 (14)0.0084 (13)
C580.0448 (15)0.0201 (12)0.053 (2)0.0024 (11)0.0209 (15)0.0033 (12)
C590.0444 (15)0.0313 (14)0.0382 (17)0.0124 (12)0.0075 (13)0.0047 (12)
C600.0291 (12)0.0235 (12)0.0318 (14)0.0051 (9)0.0018 (11)0.0017 (10)
C610.0183 (9)0.0211 (10)0.0173 (11)0.0004 (8)0.0045 (8)0.0020 (9)
C620.0260 (11)0.0239 (11)0.0191 (12)0.0005 (9)0.0038 (9)0.0015 (9)
C630.0252 (11)0.0256 (12)0.0278 (13)0.0069 (9)0.0039 (10)0.0029 (10)
C640.0195 (11)0.0400 (14)0.0210 (13)0.0036 (9)0.0010 (9)0.0030 (11)
C650.0233 (11)0.0335 (13)0.0206 (12)0.0001 (9)0.0025 (9)0.0063 (10)
C660.0203 (10)0.0220 (11)0.0218 (12)0.0001 (8)0.0069 (9)0.0012 (9)
C670.0196 (10)0.0179 (10)0.0191 (11)0.0012 (8)0.0021 (9)0.0017 (9)
C680.0269 (11)0.0250 (11)0.0180 (12)0.0001 (9)0.0027 (9)0.0032 (9)
C690.0359 (13)0.0217 (12)0.0312 (15)0.0016 (10)0.0002 (11)0.0074 (10)
C700.0298 (12)0.0235 (12)0.0398 (16)0.0084 (9)0.0014 (11)0.0001 (11)
C710.0327 (13)0.0272 (13)0.0402 (16)0.0066 (10)0.0150 (12)0.0000 (11)
C720.0278 (11)0.0227 (11)0.0295 (14)0.0032 (9)0.0115 (10)0.0038 (10)
C730.0178 (9)0.0168 (10)0.0206 (11)0.0024 (8)0.0067 (9)0.0014 (9)
C740.0216 (10)0.0230 (11)0.0228 (12)0.0028 (8)0.0030 (9)0.0012 (9)
C750.0199 (10)0.0325 (13)0.0278 (14)0.0000 (9)0.0004 (10)0.0052 (11)
C760.0234 (11)0.0243 (12)0.0381 (15)0.0024 (9)0.0095 (11)0.0074 (11)
C770.0313 (12)0.0201 (11)0.0314 (14)0.0032 (9)0.0127 (11)0.0008 (10)
C780.0255 (11)0.0215 (11)0.0206 (12)0.0003 (9)0.0067 (9)0.0009 (9)
Geometric parameters (Å, º) top
Sn1—C12.148 (2)C31—C321.391 (3)
Sn1—C152.151 (2)C31—H310.9500
Sn1—C82.156 (2)C32—C331.379 (3)
Sn1—O12.2798 (14)C32—H320.9500
Sn1—Cl12.5456 (5)C33—H330.9500
Sn2—C402.163 (2)C34—C351.393 (3)
Sn2—C472.161 (2)C34—C391.402 (3)
Sn2—C542.165 (2)C35—C361.385 (3)
Sn2—O22.3618 (16)C35—H350.9500
Sn2—Cl22.4977 (6)C36—C371.376 (4)
P1—O11.5011 (15)C36—H360.9500
P1—C281.788 (2)C37—C381.385 (4)
P1—C341.791 (2)C37—H370.9500
P1—C221.798 (2)C38—C391.377 (4)
P2—O21.4947 (17)C38—H380.9500
P2—C731.797 (2)C39—H390.9500
P2—C671.802 (2)C40—C411.500 (3)
P2—C611.806 (2)C40—H40A0.9900
C1—C2'1.510 (5)C40—H40B0.9900
C1—C21.520 (5)C41—C421.391 (3)
C1—H1A0.9900C41—C461.397 (3)
C1—H1B0.9900C42—C431.389 (3)
C1—H1C0.9900C42—H420.9500
C1—H1D0.9900C43—C441.382 (4)
C2—C31.3900C43—H430.9500
C2—C71.3900C44—C451.381 (4)
C3—C41.3900C44—H440.9500
C3—H30.9500C45—C461.384 (3)
C4—C51.3900C45—H450.9500
C4—H40.9500C46—H460.9500
C5—C61.3900C47—C481.504 (3)
C5—H50.9500C47—H47A0.9900
C6—C71.3900C47—H47B0.9900
C6—H60.9500C48—C491.391 (3)
C7—H70.9500C48—C531.391 (3)
C2'—C3'1.3900C49—C501.384 (3)
C2'—C7'1.3900C49—H490.9500
C3'—C4'1.3900C50—C511.379 (4)
C3'—H3'0.9500C50—H500.9500
C4'—C5'1.3900C51—C521.377 (4)
C4'—H4'0.9500C51—H510.9500
C5'—C6'1.3900C52—C531.388 (3)
C5'—H5'0.9500C52—H520.9500
C6'—C7'1.3900C53—H530.9500
C6'—H6'0.9500C54—C551.496 (3)
C7'—H7'0.9500C54—H54A0.9900
C8—C91.487 (3)C54—H54B0.9900
C8—H8A0.9900C55—C601.387 (4)
C8—H8B0.9900C55—C561.400 (3)
C9—C141.398 (3)C56—C571.390 (4)
C9—C101.401 (3)C56—H560.9500
C10—C111.377 (3)C57—C581.372 (5)
C10—H100.9500C57—H570.9500
C11—C121.389 (3)C58—C591.386 (4)
C11—H110.9500C58—H580.9500
C12—C131.384 (4)C59—C601.392 (4)
C12—H120.9500C59—H590.9500
C13—C141.386 (4)C60—H600.9500
C13—H130.9500C61—C661.389 (3)
C14—H140.9500C61—C621.398 (3)
C15—C161.503 (3)C62—C631.381 (3)
C15—H15A0.9900C62—H620.9500
C15—H15B0.9900C63—C641.386 (3)
C16—C211.392 (3)C63—H630.9500
C16—C171.397 (3)C64—C651.376 (3)
C17—C181.394 (3)C64—H640.9500
C17—H170.9500C65—C661.397 (3)
C18—C191.378 (4)C65—H650.9500
C18—H180.9500C66—H660.9500
C19—C201.380 (4)C67—C681.389 (3)
C19—H190.9500C67—C721.398 (3)
C20—C211.391 (3)C68—C691.389 (3)
C20—H200.9500C68—H680.9500
C21—H210.9500C69—C701.373 (4)
C22—C231.394 (3)C69—H690.9500
C22—C271.394 (3)C70—C711.385 (4)
C23—C241.390 (3)C70—H700.9500
C23—H230.9500C71—C721.384 (3)
C24—C251.382 (4)C71—H710.9500
C24—H240.9500C72—H720.9500
C25—C261.375 (4)C73—C741.394 (3)
C25—H250.9500C73—C781.395 (3)
C26—C271.387 (3)C74—C751.387 (3)
C26—H260.9500C74—H740.9500
C27—H270.9500C75—C761.385 (4)
C28—C291.395 (3)C75—H750.9500
C28—C331.399 (3)C76—C771.385 (4)
C29—C301.392 (3)C76—H760.9500
C29—H290.9500C77—C781.387 (3)
C30—C311.373 (4)C77—H770.9500
C30—H300.9500C78—H780.9500
C1—Sn1—C15119.79 (8)C28—C29—H29120.2
C1—Sn1—C8120.26 (8)C31—C30—C29120.2 (2)
C15—Sn1—C8119.15 (9)C31—C30—H30119.9
C1—Sn1—O188.60 (7)C29—C30—H30119.9
C15—Sn1—O189.88 (7)C30—C31—C32120.5 (2)
C8—Sn1—O182.59 (7)C30—C31—H31119.8
C1—Sn1—Cl193.91 (6)C32—C31—H31119.8
C15—Sn1—Cl193.09 (6)C33—C32—C31120.1 (2)
C8—Sn1—Cl191.94 (6)C33—C32—H32120.0
O1—Sn1—Cl1174.52 (4)C31—C32—H32120.0
C40—Sn2—C47119.81 (8)C32—C33—C28119.8 (2)
C40—Sn2—C54126.34 (8)C32—C33—H33120.1
C47—Sn2—C54112.08 (8)C28—C33—H33120.1
C40—Sn2—O283.37 (7)C35—C34—C39119.0 (2)
C47—Sn2—O284.00 (8)C35—C34—P1122.46 (18)
C54—Sn2—O289.43 (8)C39—C34—P1118.42 (18)
C40—Sn2—Cl293.55 (6)C36—C35—C34120.2 (2)
C47—Sn2—Cl294.71 (7)C36—C35—H35119.9
C54—Sn2—Cl295.08 (7)C34—C35—H35119.9
O2—Sn2—Cl2175.46 (4)C37—C36—C35120.1 (2)
O1—P1—C28112.39 (10)C37—C36—H36119.9
O1—P1—C34110.06 (10)C35—C36—H36119.9
C28—P1—C34106.95 (11)C36—C37—C38120.3 (2)
O1—P1—C22110.08 (10)C36—C37—H37119.8
C28—P1—C22107.31 (10)C38—C37—H37119.8
C34—P1—C22109.95 (11)C39—C38—C37120.1 (2)
O2—P2—C73110.35 (10)C39—C38—H38120.0
O2—P2—C67110.50 (10)C37—C38—H38120.0
C73—P2—C67107.75 (10)C38—C39—C34120.3 (2)
O2—P2—C61112.13 (10)C38—C39—H39119.9
C73—P2—C61107.37 (10)C34—C39—H39119.9
C67—P2—C61108.59 (10)C41—C40—Sn2108.50 (13)
P1—O1—Sn1164.27 (10)C41—C40—H40A110.0
P2—O2—Sn2158.00 (9)Sn2—C40—H40A110.0
C2'—C1—Sn1110.5 (7)C41—C40—H40B110.0
C2—C1—Sn1110.4 (7)Sn2—C40—H40B110.0
C2'—C1—H1A116.2H40A—C40—H40B108.4
C2—C1—H1A109.6C42—C41—C46117.7 (2)
Sn1—C1—H1A109.6C42—C41—C40121.0 (2)
C2'—C1—H1B102.5C46—C41—C40121.3 (2)
C2—C1—H1B109.6C43—C42—C41120.9 (2)
Sn1—C1—H1B109.6C43—C42—H42119.5
H1A—C1—H1B108.1C41—C42—H42119.5
C2'—C1—H1C109.6C44—C43—C42120.6 (2)
C2—C1—H1C102.6C44—C43—H43119.7
Sn1—C1—H1C109.6C42—C43—H43119.7
C2'—C1—H1D109.6C43—C44—C45119.2 (2)
C2—C1—H1D116.3C43—C44—H44120.4
Sn1—C1—H1D109.6C45—C44—H44120.4
H1C—C1—H1D108.1C46—C45—C44120.3 (2)
C3—C2—C7120.0C46—C45—H45119.9
C3—C2—C1120.3 (6)C44—C45—H45119.9
C7—C2—C1119.7 (7)C45—C46—C41121.3 (2)
C2—C3—C4120.0C45—C46—H46119.3
C2—C3—H3120.0C41—C46—H46119.3
C4—C3—H3120.0C48—C47—Sn2112.40 (15)
C5—C4—C3120.0C48—C47—H47A109.1
C5—C4—H4120.0Sn2—C47—H47A109.1
C3—C4—H4120.0C48—C47—H47B109.1
C4—C5—C6120.0Sn2—C47—H47B109.1
C4—C5—H5120.0H47A—C47—H47B107.9
C6—C5—H5120.0C49—C48—C53117.7 (2)
C5—C6—C7120.0C49—C48—C47121.2 (2)
C5—C6—H6120.0C53—C48—C47121.1 (2)
C7—C6—H6120.0C50—C49—C48121.4 (2)
C6—C7—C2120.0C50—C49—H49119.3
C6—C7—H7120.0C48—C49—H49119.3
C2—C7—H7120.0C51—C50—C49120.2 (2)
C3'—C2'—C7'120.0C51—C50—H50119.9
C3'—C2'—C1121.5 (7)C49—C50—H50119.9
C7'—C2'—C1118.4 (7)C52—C51—C50119.2 (2)
C2'—C3'—C4'120.0C52—C51—H51120.4
C2'—C3'—H3'120.0C50—C51—H51120.4
C4'—C3'—H3'120.0C51—C52—C53120.7 (2)
C3'—C4'—C5'120.0C51—C52—H52119.7
C3'—C4'—H4'120.0C53—C52—H52119.7
C5'—C4'—H4'120.0C48—C53—C52120.8 (2)
C6'—C5'—C4'120.0C48—C53—H53119.6
C6'—C5'—H5'120.0C52—C53—H53119.6
C4'—C5'—H5'120.0C55—C54—Sn2118.86 (14)
C5'—C6'—C7'120.0C55—C54—H54A107.6
C5'—C6'—H6'120.0Sn2—C54—H54A107.6
C7'—C6'—H6'120.0C55—C54—H54B107.6
C6'—C7'—C2'120.0Sn2—C54—H54B107.6
C6'—C7'—H7'120.0H54A—C54—H54B107.0
C2'—C7'—H7'120.0C60—C55—C56118.4 (2)
C9—C8—Sn1109.53 (14)C60—C55—C54121.0 (2)
C9—C8—H8A109.8C56—C55—C54120.5 (2)
Sn1—C8—H8A109.8C57—C56—C55120.4 (3)
C9—C8—H8B109.8C57—C56—H56119.8
Sn1—C8—H8B109.8C55—C56—H56119.8
H8A—C8—H8B108.2C58—C57—C56120.4 (3)
C14—C9—C10117.3 (2)C58—C57—H57119.8
C14—C9—C8122.5 (2)C56—C57—H57119.8
C10—C9—C8120.2 (2)C57—C58—C59120.1 (3)
C11—C10—C9121.6 (2)C57—C58—H58119.9
C11—C10—H10119.2C59—C58—H58119.9
C9—C10—H10119.2C58—C59—C60119.7 (3)
C10—C11—C12120.3 (2)C58—C59—H59120.2
C10—C11—H11119.8C60—C59—H59120.2
C12—C11—H11119.8C55—C60—C59121.1 (3)
C11—C12—C13119.0 (2)C55—C60—H60119.5
C11—C12—H12120.5C59—C60—H60119.5
C13—C12—H12120.5C66—C61—C62119.3 (2)
C12—C13—C14120.7 (2)C66—C61—P2123.00 (17)
C12—C13—H13119.6C62—C61—P2117.60 (17)
C14—C13—H13119.6C63—C62—C61120.2 (2)
C13—C14—C9121.0 (2)C63—C62—H62119.9
C13—C14—H14119.5C61—C62—H62119.9
C9—C14—H14119.5C62—C63—C64120.3 (2)
C16—C15—Sn1112.28 (14)C62—C63—H63119.8
C16—C15—H15A109.1C64—C63—H63119.8
Sn1—C15—H15A109.1C65—C64—C63120.0 (2)
C16—C15—H15B109.1C65—C64—H64120.0
Sn1—C15—H15B109.1C63—C64—H64120.0
H15A—C15—H15B107.9C64—C65—C66120.2 (2)
C21—C16—C17118.0 (2)C64—C65—H65119.9
C21—C16—C15120.9 (2)C66—C65—H65119.9
C17—C16—C15121.1 (2)C61—C66—C65120.0 (2)
C18—C17—C16120.6 (2)C61—C66—H66120.0
C18—C17—H17119.7C65—C66—H66120.0
C16—C17—H17119.7C68—C67—C72119.7 (2)
C19—C18—C17120.4 (2)C68—C67—P2118.18 (18)
C19—C18—H18119.8C72—C67—P2122.07 (17)
C17—C18—H18119.8C69—C68—C67120.0 (2)
C18—C19—C20119.9 (2)C69—C68—H68120.0
C18—C19—H19120.1C67—C68—H68120.0
C20—C19—H19120.1C70—C69—C68120.2 (2)
C19—C20—C21119.9 (2)C70—C69—H69119.9
C19—C20—H20120.0C68—C69—H69119.9
C21—C20—H20120.0C69—C70—C71120.3 (2)
C16—C21—C20121.2 (2)C69—C70—H70119.9
C16—C21—H21119.4C71—C70—H70119.9
C20—C21—H21119.4C72—C71—C70120.3 (3)
C23—C22—C27119.7 (2)C72—C71—H71119.8
C23—C22—P1118.21 (17)C70—C71—H71119.8
C27—C22—P1121.96 (19)C71—C72—C67119.6 (2)
C22—C23—C24119.8 (2)C71—C72—H72120.2
C22—C23—H23120.1C67—C72—H72120.2
C24—C23—H23120.1C74—C73—C78119.6 (2)
C25—C24—C23120.1 (3)C74—C73—P2116.53 (17)
C25—C24—H24119.9C78—C73—P2123.84 (17)
C23—C24—H24119.9C75—C74—C73120.2 (2)
C26—C25—C24120.2 (2)C75—C74—H74119.9
C26—C25—H25119.9C73—C74—H74119.9
C24—C25—H25119.9C76—C75—C74119.8 (2)
C25—C26—C27120.6 (2)C76—C75—H75120.1
C25—C26—H26119.7C74—C75—H75120.1
C27—C26—H26119.7C75—C76—C77120.5 (2)
C26—C27—C22119.6 (2)C75—C76—H76119.8
C26—C27—H27120.2C77—C76—H76119.8
C22—C27—H27120.2C78—C77—C76120.0 (2)
C29—C28—C33119.9 (2)C78—C77—H77120.0
C29—C28—P1122.62 (17)C76—C77—H77120.0
C33—C28—P1117.44 (16)C77—C78—C73119.9 (2)
C30—C29—C28119.5 (2)C77—C78—H78120.0
C30—C29—H29120.2C73—C78—H78120.0
C28—P1—O1—Sn136.3 (4)P1—C28—C33—C32177.74 (18)
C34—P1—O1—Sn182.8 (4)O1—P1—C34—C35139.12 (18)
C22—P1—O1—Sn1155.9 (4)C28—P1—C34—C3516.8 (2)
C1—Sn1—O1—P155.3 (4)C22—P1—C34—C3599.5 (2)
C15—Sn1—O1—P164.5 (4)O1—P1—C34—C3936.24 (19)
C8—Sn1—O1—P1176.0 (4)C28—P1—C34—C39158.60 (17)
C73—P2—O2—Sn276.2 (3)C22—P1—C34—C3985.20 (18)
C67—P2—O2—Sn2164.7 (2)C39—C34—C35—C361.6 (3)
C61—P2—O2—Sn243.4 (3)P1—C34—C35—C36173.77 (18)
C40—Sn2—O2—P267.7 (3)C34—C35—C36—C370.1 (4)
C47—Sn2—O2—P2171.3 (3)C35—C36—C37—C381.3 (4)
C54—Sn2—O2—P259.0 (3)C36—C37—C38—C391.2 (4)
C15—Sn1—C1—C2'157.5 (5)C37—C38—C39—C340.3 (3)
C8—Sn1—C1—C2'12.1 (5)C35—C34—C39—C381.6 (3)
O1—Sn1—C1—C2'68.4 (5)P1—C34—C39—C38173.88 (17)
Cl1—Sn1—C1—C2'106.7 (5)C47—Sn2—C40—C416.89 (19)
C15—Sn1—C1—C2166.0 (4)C54—Sn2—C40—C41170.44 (14)
C8—Sn1—C1—C23.6 (5)O2—Sn2—C40—C4186.06 (15)
O1—Sn1—C1—C277.0 (5)Cl2—Sn2—C40—C4190.60 (15)
Cl1—Sn1—C1—C298.2 (4)Sn2—C40—C41—C4293.2 (2)
C2'—C1—C2—C320 (9)Sn2—C40—C41—C4684.5 (2)
Sn1—C1—C2—C3112.1 (6)C46—C41—C42—C430.5 (3)
C2'—C1—C2—C7159 (10)C40—C41—C42—C43177.3 (2)
Sn1—C1—C2—C766.7 (9)C41—C42—C43—C440.4 (4)
C7—C2—C3—C40.0C42—C43—C44—C450.7 (4)
C1—C2—C3—C4178.7 (13)C43—C44—C45—C460.0 (4)
C2—C3—C4—C50.0C44—C45—C46—C410.9 (4)
C3—C4—C5—C60.0C42—C41—C46—C451.2 (3)
C4—C5—C6—C70.0C40—C41—C46—C45176.6 (2)
C5—C6—C7—C20.0C40—Sn2—C47—C48136.09 (16)
C3—C2—C7—C60.0C54—Sn2—C47—C4829.7 (2)
C1—C2—C7—C6178.8 (13)O2—Sn2—C47—C4857.29 (16)
C2—C1—C2'—C3'153 (10)Cl2—Sn2—C47—C48127.08 (16)
Sn1—C1—C2'—C3'116.1 (6)Sn2—C47—C48—C4956.6 (3)
C2—C1—C2'—C7'25 (9)Sn2—C47—C48—C53124.4 (2)
Sn1—C1—C2'—C7'66.4 (9)C53—C48—C49—C501.9 (4)
C7'—C2'—C3'—C4'0.0C47—C48—C49—C50179.0 (2)
C1—C2'—C3'—C4'177.4 (13)C48—C49—C50—C511.9 (4)
C2'—C3'—C4'—C5'0.0C49—C50—C51—C520.1 (4)
C3'—C4'—C5'—C6'0.0C50—C51—C52—C531.5 (4)
C4'—C5'—C6'—C7'0.0C49—C48—C53—C520.4 (4)
C5'—C6'—C7'—C2'0.0C47—C48—C53—C52179.4 (2)
C3'—C2'—C7'—C6'0.0C51—C52—C53—C481.4 (4)
C1—C2'—C7'—C6'177.5 (12)C40—Sn2—C54—C5513.7 (2)
C1—Sn1—C8—C9169.36 (13)C47—Sn2—C54—C55178.34 (18)
C15—Sn1—C8—C90.35 (17)O2—Sn2—C54—C5595.06 (19)
O1—Sn1—C8—C985.35 (14)Cl2—Sn2—C54—C5584.48 (19)
Cl1—Sn1—C8—C994.97 (14)Sn2—C54—C55—C60107.8 (2)
Sn1—C8—C9—C14105.9 (2)Sn2—C54—C55—C5676.2 (3)
Sn1—C8—C9—C1073.1 (2)C60—C55—C56—C570.5 (3)
C14—C9—C10—C111.0 (3)C54—C55—C56—C57175.6 (2)
C8—C9—C10—C11179.9 (2)C55—C56—C57—C580.6 (4)
C9—C10—C11—C120.5 (4)C56—C57—C58—C590.3 (4)
C10—C11—C12—C130.3 (4)C57—C58—C59—C600.1 (4)
C11—C12—C13—C140.5 (4)C56—C55—C60—C590.1 (3)
C12—C13—C14—C90.0 (4)C54—C55—C60—C59176.0 (2)
C10—C9—C14—C130.8 (3)C58—C59—C60—C550.2 (4)
C8—C9—C14—C13179.9 (2)O2—P2—C61—C66114.19 (19)
C1—Sn1—C15—C1611.30 (18)C73—P2—C61—C66124.44 (19)
C8—Sn1—C15—C16158.45 (14)C67—P2—C61—C668.2 (2)
O1—Sn1—C15—C1677.02 (15)O2—P2—C61—C6262.0 (2)
Cl1—Sn1—C15—C16107.59 (14)C73—P2—C61—C6259.4 (2)
Sn1—C15—C16—C2156.0 (2)C67—P2—C61—C62175.61 (17)
Sn1—C15—C16—C17124.15 (18)C66—C61—C62—C631.0 (3)
C21—C16—C17—C180.8 (3)P2—C61—C62—C63177.34 (19)
C15—C16—C17—C18179.3 (2)C61—C62—C63—C640.1 (4)
C16—C17—C18—C190.2 (3)C62—C63—C64—C650.9 (4)
C17—C18—C19—C200.5 (4)C63—C64—C65—C661.0 (4)
C18—C19—C20—C210.6 (3)C62—C61—C66—C650.9 (3)
C17—C16—C21—C200.7 (3)P2—C61—C66—C65177.00 (18)
C15—C16—C21—C20179.42 (19)C64—C65—C66—C610.1 (4)
C19—C20—C21—C160.0 (3)O2—P2—C67—C686.2 (2)
O1—P1—C22—C2327.9 (2)C73—P2—C67—C68126.80 (18)
C28—P1—C22—C2394.7 (2)C61—P2—C67—C68117.20 (18)
C34—P1—C22—C23149.28 (19)O2—P2—C67—C72171.92 (18)
O1—P1—C22—C27155.58 (19)C73—P2—C67—C7251.3 (2)
C28—P1—C22—C2781.8 (2)C61—P2—C67—C7264.7 (2)
C34—P1—C22—C2734.2 (2)C72—C67—C68—C690.6 (3)
C27—C22—C23—C240.5 (4)P2—C67—C68—C69177.55 (17)
P1—C22—C23—C24177.2 (2)C67—C68—C69—C701.2 (3)
C22—C23—C24—C250.2 (4)C68—C69—C70—C710.7 (4)
C23—C24—C25—C260.4 (4)C69—C70—C71—C720.4 (4)
C24—C25—C26—C270.5 (4)C70—C71—C72—C671.0 (4)
C25—C26—C27—C220.2 (4)C68—C67—C72—C710.5 (3)
C23—C22—C27—C260.4 (4)P2—C67—C72—C71178.57 (19)
P1—C22—C27—C26176.88 (19)O2—P2—C73—C7443.85 (19)
O1—P1—C28—C29124.5 (2)C67—P2—C73—C7476.87 (19)
C34—P1—C28—C29114.6 (2)C61—P2—C73—C74166.33 (17)
C22—P1—C28—C293.3 (2)O2—P2—C73—C78134.83 (19)
O1—P1—C28—C3353.3 (2)C67—P2—C73—C78104.4 (2)
C34—P1—C28—C3367.6 (2)C61—P2—C73—C7812.4 (2)
C22—P1—C28—C33174.49 (18)C78—C73—C74—C750.1 (3)
C33—C28—C29—C300.6 (4)P2—C73—C74—C75178.84 (18)
P1—C28—C29—C30178.30 (18)C73—C74—C75—C760.7 (3)
C28—C29—C30—C310.7 (4)C74—C75—C76—C770.8 (4)
C29—C30—C31—C320.2 (4)C75—C76—C77—C780.1 (4)
C30—C31—C32—C330.5 (4)C76—C77—C78—C730.5 (3)
C31—C32—C33—C280.7 (4)C74—C73—C78—C770.5 (3)
C29—C28—C33—C320.1 (3)P2—C73—C78—C77178.10 (18)

Experimental details

Crystal data
Chemical formula[Sn(C7H7)3Cl(C18H15OP)]
Mr705.81
Crystal system, space groupMonoclinic, P21/c
Temperature (K)100
a, b, c (Å)10.0697 (1), 31.8793 (4), 21.3259 (3)
β (°) 100.4304 (6)
V3)6732.81 (14)
Z8
Radiation typeMo Kα
µ (mm1)0.92
Crystal size (mm)0.30 × 0.25 × 0.20
Data collection
DiffractometerBruker SMART APEX
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.771, 0.838
No. of measured, independent and
observed [I > 2σ(I)] reflections
62453, 15456, 13210
Rint0.047
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.031, 0.072, 1.03
No. of reflections15456
No. of parameters769
No. of restraints37
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.76, 0.67

Computer programs: APEX2 (Bruker, 2009), SAINT (Bruker, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

 

Acknowledgements

We thank the University of Malaya (RG020/09/AFR) for supporting this study.

References

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First citationBruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationCastro, V. D. de, Filgueiras, C. A. L., de Lima, M. T. P., Gambardella, M. T. P. & Speziali, N. L. (2001). Main Group Met. Chem. 24, 761–764.  Google Scholar
First citationDavis, M. F., Levason, W., Ratnani, R., Reid, G., Rose, T. & Webster, M. (2007). Eur. J. Inorg. Chem. pp. 306–313.  CrossRef Google Scholar
First citationEppley, H. J., Ealy, J. L., Yoder, C. H., Spencer, J. N. & Rheingold, A. L. (1992). J. Organomet. Chem. 431, 133–142.  CrossRef CAS Google Scholar
First citationNg, S. W. & Kumar Das, V. G. (1992). Acta Cryst. C48, 1839–1841.  CSD CrossRef CAS Web of Science IUCr Journals Google Scholar
First citationSheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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