supplementary materials


HTML versionpdf versioncif file3d viewstructure factorssupplementary materialsCIF check reportsimilar papers Open access

xu2527 scheme

Acta Cryst. (2009). E65, m694    [ doi:10.1107/S1600536809019242 ]

Dichloridobis(2-chlorobenzyl-[kappa]C)[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-[kappa]2N2,N3]tin(IV)

C. L. Tan, K. M. Lo and S. W. Ng

Abstract top

The asymmetric unit of the crystal structure of the title compound, [Sn(C7H6Cl)2Cl2(C20H14N4)], contains two independent molecules. Each SnIV atom is chelated by the bipyridine-like N-heterocycle and exists in a distorted trans-C2SnCl2N2 octahedral coordination environment. One chlorobenzyl substituent is disordered in each molecule in 0.5:0.5 and 0.778 (2):0.222 (2) ratios.

Comment top

(type here to add)

Related literature top

Several diorganotin dichloride adducts of 2,2'-bipyridine have been reported, e.g. the diethyltin dichloride, dibutyltin dichoride and dibenzyltin dichloride adducts (see Chadha et al., 1980; Gill et al., 1999; Tiekink et al., 2000). The structure of di(2-chlorobenzyltin) dichloride has not been reported; for that of di(4-chlorobenzzyltin) dichloride, see: Kuang & Feng (2000). For the direct synthesis of di(chlorobenzyl)tin dichlorides, see: Sisido et al. (1961).

Experimental top

Di(o-chlorobenzyl)tin dichloride was synthesized by the reaction of o-chlorobenzyl chloride and metallic tin (Sisido et al., 1961). The reactant (1 g, 2.6 mmol) and (colorless) 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (0.83 g, 2.6 mmol) were heated in ethanol for 1 hour. Orange crystals separated from the cool solution after a day.

Refinement top

Parts of the two independent molecules are disordered. As such, the phenyl and phenylene rings were all refined as rigid hexagons of 1.39 Å sides.

The C2/C3/C4/C5/C7/Cl1 and C36/C37/C38/C39/C40/C41/Cl5 groups are disordered over two positions. For the first, the occupancy could not be refined, and was arbitrarily assumed as 50:50. For the second, the occupancy refined to 0.78:0.22. For the disordered groups, the Cmethylene–Cipso distance was restrained to 1.50±0.01 Å and the C–Cl distance to 1.75±0.01 Å. Additionally, the Cl···Cispo,meta distance was restrained to 2.73±0.01 Å. All atoms of each component was restrained to lie on a plane, with maximum deviation of ±0.01 Å. The temperature factors of the primed carbon atoms were set to those of the unprimed ones. The anisotropic temperature factors of all disordered atoms were restrained to be nearly isotropic.

Hydrogen atoms were placed at calculated positions (C–H 0.95 Å) and were treated as riding on their parent atoms, with U(H) set to 1.2 times Ueq(C).

The final difference Fourier map had a large peak at 0.5 Å from C7' but was otherwise featureless.

Computing details top

Data collection: APEX2 (Bruker, 2007) [SMART software with SMART APEX machine?]; cell refinement: APEX2 (Bruker, 2007) [SMART?]; data reduction: SAINT (Bruker, 2007); 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, 2009).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of one independent molecule of SnCl2(C7H6Cl)2(C20H14N4) at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius. The disorder is not shown.
[Figure 2] Fig. 2. Thermal ellipsoid plot (Barbour, 2001) of second one independent molecule of SnCl2(C7H6Cl)2(C20H14N4) at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius. The disorder is not shown.
Dichloridobis(2-chlorobenzyl-κC)[5,6-diphenyl-3-(2-pyridyl)- 1,2,4-triazine-κ2N2,N3]tin(IV) top
Crystal data top
[Sn(C7H6Cl)2Cl2(C20H14N4)]F000 = 3008
Mr = 751.08Dx = 1.588 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9969 reflections
a = 31.3421 (4) Åθ = 2.3–28.2º
b = 9.9521 (1) ŵ = 1.19 mm−1
c = 21.0742 (3) ÅT = 100 K
β = 107.044 (1)ºBlock, orange
V = 6284.75 (14) Å30.40 × 0.35 × 0.30 mm
Z = 8
Data collection top
Bruker SMART APEX
diffractometer		14419 independent reflections
Radiation source: fine-focus sealed tube12295 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.031
T = 100 Kθmax = 27.5º
ω scansθmin = 0.7º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −40→40
Tmin = 0.649, Tmax = 0.718k = −12→12
58928 measured reflectionsl = −27→27
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)] = 0.034H-atom parameters constrained
wR(F2) = 0.094  w = 1/[σ2(Fo2) + (0.05P)2 + 5P]
where P = (Fo2 + 2Fc2)/3
S = 1.09(Δ/σ)max = 0.001
14419 reflectionsΔρmax = 1.40 e Å−3
710 parametersΔρmin = −0.79 e Å−3
128 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Sn(C7H6Cl)2Cl2(C20H14N4)]V = 6284.75 (14) Å3
Mr = 751.08Z = 8
Monoclinic, P21/cMo Kα
a = 31.3421 (4) ŵ = 1.19 mm−1
b = 9.9521 (1) ÅT = 100 K
c = 21.0742 (3) Å0.40 × 0.35 × 0.30 mm
β = 107.044 (1)º
Data collection top
Bruker SMART APEX
diffractometer		14419 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		12295 reflections with I > 2σ(I)
Tmin = 0.649, Tmax = 0.718Rint = 0.031
58928 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.034128 restraints
wR(F2) = 0.094H-atom parameters constrained
S = 1.09Δρmax = 1.40 e Å−3
14419 reflectionsΔρmin = −0.79 e Å−3
710 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sn10.337678 (7)0.85029 (2)0.245879 (10)0.02394 (6)
Sn20.115732 (6)0.468724 (17)0.150816 (8)0.01496 (5)
Cl10.4189 (2)0.5202 (6)0.3582 (3)0.0792 (14)0.50
Cl1'0.4120 (2)0.5487 (7)0.3809 (3)0.121 (3)0.50
Cl20.25217 (3)0.57651 (10)0.09862 (4)0.0409 (2)
Cl30.37108 (3)1.05914 (8)0.21457 (5)0.0419 (2)
Cl40.28992 (3)0.95136 (9)0.30908 (4)0.0401 (2)
Cl50.09515 (3)0.25073 (10)−0.02284 (4)0.0269 (3)0.778 (2)
Cl5'0.21414 (12)0.1384 (4)0.19930 (17)0.0424 (12)0.222 (2)
Cl60.06462 (3)0.37633 (10)0.31987 (4)0.0399 (2)
Cl70.17737 (2)0.62965 (7)0.19768 (3)0.02471 (14)
Cl80.07577 (2)0.58752 (7)0.04745 (3)0.02630 (15)
N10.31418 (8)0.6252 (2)0.26478 (11)0.0232 (5)
N20.37008 (8)0.6853 (2)0.19349 (11)0.0215 (5)
N30.39714 (8)0.7224 (2)0.15831 (12)0.0222 (5)
N40.36586 (8)0.4630 (2)0.15341 (12)0.0236 (5)
N50.06326 (7)0.2843 (2)0.12295 (10)0.0170 (4)
N60.13203 (7)0.2986 (2)0.23490 (10)0.0164 (4)
N70.16371 (7)0.3167 (2)0.29263 (10)0.0168 (4)
N80.12132 (7)0.0720 (2)0.26044 (10)0.0176 (4)
C10.39403 (11)0.8287 (4)0.33495 (16)0.0400 (8)
H1A0.40070.91780.35650.048*0.50
H1B0.38500.76840.36610.048*0.50
H1C0.40080.91810.35610.048*0.50
H1D0.38480.76960.36640.048*0.50
C20.4366 (4)0.7738 (8)0.3242 (8)0.0403 (8)0.50
C30.4495 (2)0.6396 (7)0.3311 (3)0.0553 (16)0.50
C40.4881 (3)0.5992 (6)0.3167 (5)0.054 (2)0.50
H40.49690.50750.32140.065*0.50
C50.5138 (3)0.6929 (8)0.2953 (6)0.061 (3)0.50
H50.54020.66530.28550.073*0.50
C60.5009 (3)0.8270 (6)0.2884 (6)0.053 (2)0.50
H60.51850.89110.27380.063*0.50
C70.4623 (4)0.8675 (6)0.3028 (9)0.0396 (15)0.50
H70.45350.95910.29810.048*0.50
C2'0.4366 (4)0.7723 (9)0.3252 (8)0.0403 (8)0.50
C3'0.4454 (2)0.6389 (8)0.3439 (3)0.0553 (16)0.50
C4'0.4823 (3)0.5748 (7)0.3336 (5)0.054 (2)0.50
H4'0.48830.48360.34640.065*0.50
C5'0.5102 (3)0.6441 (8)0.3046 (6)0.061 (3)0.50
H5'0.53540.60040.29760.073*0.50
C6'0.5014 (3)0.7776 (7)0.2859 (6)0.053 (2)0.50
H6'0.52050.82500.26610.063*0.50
C7'0.4645 (4)0.8417 (7)0.2962 (9)0.0396 (15)0.50
H7'0.45850.93290.28340.048*0.50
C80.28281 (11)0.8601 (3)0.15484 (15)0.0295 (7)
H8A0.25830.80340.16070.035*
H8B0.27180.95380.14910.035*
C90.29205 (7)0.81706 (19)0.09063 (7)0.0249 (6)
C100.27806 (6)0.69252 (17)0.06227 (9)0.0260 (6)
C110.28485 (7)0.65793 (15)0.00206 (9)0.0300 (7)
H110.27530.5728−0.01730.036*
C120.30564 (7)0.74788 (19)−0.02978 (7)0.0291 (6)
H120.31030.7242−0.07090.035*
C130.31963 (7)0.87241 (18)−0.00141 (9)0.0330 (7)
H130.33380.9339−0.02320.040*
C140.31283 (7)0.90701 (15)0.05880 (9)0.0305 (7)
H140.32240.99210.07820.037*
C150.28733 (10)0.5980 (3)0.30197 (14)0.0278 (6)
H150.27500.67070.32000.033*
C160.27668 (11)0.4680 (4)0.31529 (16)0.0352 (7)
H160.25790.45200.34260.042*
C170.29383 (12)0.3624 (4)0.28822 (17)0.0367 (8)
H170.28730.27240.29730.044*
C180.32066 (11)0.3883 (3)0.24760 (15)0.0311 (7)
H180.33230.31700.22760.037*
C190.33003 (10)0.5215 (3)0.23706 (14)0.0240 (6)
C200.35760 (9)0.5572 (3)0.19343 (13)0.0213 (6)
C210.40822 (9)0.6320 (3)0.11932 (14)0.0211 (5)
C220.38876 (9)0.5015 (3)0.11261 (14)0.0207 (5)
C230.44094 (6)0.6784 (2)0.08617 (11)0.0254 (6)
C240.47436 (7)0.59355 (18)0.07872 (13)0.0377 (8)
H240.47620.50390.09480.045*
C250.50510 (7)0.6399 (2)0.04782 (14)0.0536 (11)
H250.52790.58180.04270.064*
C260.50240 (8)0.7711 (3)0.02436 (15)0.0614 (13)
H260.52340.80270.00320.074*
C270.46898 (9)0.8560 (2)0.03180 (15)0.0652 (13)
H270.46710.94560.01580.078*
C280.43825 (7)0.8096 (2)0.06271 (14)0.0450 (9)
H280.41540.86770.06780.054*
C290.38923 (7)0.40531 (16)0.05922 (8)0.0221 (6)
C300.38156 (7)0.44915 (14)−0.00579 (9)0.0264 (6)
H300.37980.5426−0.01540.032*
C310.37653 (7)0.3563 (2)−0.05672 (7)0.0345 (7)
H310.37130.3862−0.10110.041*
C320.37917 (8)0.21954 (18)−0.04264 (9)0.0392 (8)
H320.37570.1561−0.07740.047*
C330.38684 (8)0.17569 (13)0.02237 (10)0.0363 (8)
H330.38860.08220.03200.044*
C340.39187 (7)0.26858 (17)0.07330 (7)0.0280 (6)
H340.39710.23860.11770.034*
C350.16054 (9)0.3571 (3)0.10712 (14)0.0204 (5)
H35A0.15760.39640.06290.025*0.778 (2)
H35B0.19150.37420.13490.025*0.778 (2)
H35C0.16220.40560.06690.025*0.222 (2)
H35D0.19080.35810.13920.025*0.222 (2)
C360.15491 (9)0.20565 (15)0.09827 (12)0.0188 (6)0.778 (2)
C370.12506 (7)0.1509 (2)0.04190 (10)0.0185 (7)0.778 (2)
C380.11928 (7)0.0124 (2)0.03626 (10)0.0228 (7)0.778 (2)
H380.0989−0.0250−0.00230.027*0.778 (2)
C390.14334 (9)−0.07120 (15)0.08700 (13)0.0270 (9)0.778 (2)
H390.1394−0.16580.08310.032*0.778 (2)
C400.17319 (8)−0.0164 (2)0.14337 (10)0.0263 (8)0.778 (2)
H400.1896−0.07360.17800.032*0.778 (2)
C410.17897 (8)0.1220 (2)0.14900 (10)0.0237 (8)0.778 (2)
H410.19940.15940.18750.028*0.778 (2)
C36'0.1501 (3)0.2140 (5)0.0872 (4)0.0188 (6)0.22
C37'0.17185 (18)0.1093 (7)0.1275 (3)0.0185 (7)0.22
C38'0.1598 (3)−0.0230 (6)0.1098 (4)0.0228 (7)0.22
H38'0.1747−0.09450.13740.027*0.222 (2)
C39'0.1261 (3)−0.0506 (6)0.0518 (4)0.0270 (9)0.22
H39'0.1179−0.14100.03970.032*0.222 (2)
C40'0.1043 (2)0.0541 (9)0.0115 (3)0.0263 (8)0.22
H40'0.08130.0352−0.02820.032*0.222 (2)
C41'0.1163 (3)0.1864 (7)0.0292 (4)0.0237 (8)0.22
H41'0.10150.25790.00160.028*0.222 (2)
C420.07750 (9)0.5679 (3)0.20853 (14)0.0221 (6)
H42A0.09500.56530.25600.026*
H42B0.07350.66350.19500.026*
C430.03171 (5)0.50634 (19)0.20108 (9)0.0228 (6)
C440.02529 (6)0.4103 (2)0.24530 (8)0.0274 (6)
C45−0.01549 (7)0.34462 (19)0.23260 (10)0.0335 (7)
H45−0.01990.27900.26280.040*
C46−0.04984 (5)0.3749 (2)0.17567 (11)0.0378 (8)
H46−0.07770.33000.16700.045*
C47−0.04341 (5)0.4709 (2)0.13145 (8)0.0339 (7)
H47−0.06690.49160.09250.041*
C48−0.00264 (6)0.53663 (18)0.14415 (8)0.0281 (6)
H480.00180.60230.11390.034*
C490.02739 (9)0.2825 (3)0.06977 (13)0.0200 (5)
H490.02040.36070.04280.024*
C50−0.00022 (10)0.1705 (3)0.05223 (14)0.0252 (6)
H50−0.02570.17290.01440.030*
C510.01004 (10)0.0563 (3)0.09070 (15)0.0270 (6)
H51−0.0081−0.02170.07930.032*
C520.04732 (10)0.0565 (3)0.14657 (14)0.0248 (6)
H520.0551−0.02090.17390.030*
C530.07269 (9)0.1726 (3)0.16110 (12)0.0173 (5)
C540.11097 (9)0.1814 (3)0.22158 (12)0.0164 (5)
C550.15296 (9)0.0868 (3)0.31798 (12)0.0168 (5)
C560.17343 (8)0.2149 (3)0.33523 (12)0.0164 (5)
C570.16356 (6)−0.03552 (13)0.35977 (7)0.0171 (5)
C580.16988 (7)−0.15594 (16)0.33036 (6)0.0220 (6)
H580.1708−0.15690.28570.026*
C590.17487 (7)−0.27500 (13)0.36628 (8)0.0262 (6)
H590.1792−0.35730.34620.031*
C600.17353 (7)−0.27362 (13)0.43162 (8)0.0262 (6)
H600.1769−0.35500.45620.031*
C610.16720 (7)−0.15320 (17)0.46104 (6)0.0244 (6)
H610.1663−0.15230.50570.029*
C620.16222 (6)−0.03414 (13)0.42512 (8)0.0200 (5)
H620.15790.04820.44520.024*
C630.20575 (5)0.24691 (17)0.40048 (6)0.0162 (5)
C640.24460 (6)0.17252 (16)0.42544 (8)0.0233 (6)
H640.25210.10410.39910.028*
C650.27250 (5)0.19829 (18)0.48887 (9)0.0283 (6)
H650.29900.14740.50590.034*
C660.26154 (6)0.29845 (19)0.52734 (7)0.0282 (6)
H660.28060.31610.57070.034*
C670.22269 (6)0.37284 (17)0.50239 (8)0.0248 (6)
H670.21520.44130.52870.030*
C680.19479 (5)0.34707 (16)0.43896 (8)0.0195 (5)
H680.16820.39790.42190.023*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.02993 (11)0.02181 (11)0.02394 (10)0.00041 (8)0.01392 (8)−0.00433 (7)
Sn20.01800 (9)0.01282 (9)0.01382 (8)0.00062 (6)0.00430 (6)0.00134 (6)
Cl10.0621 (18)0.0562 (18)0.090 (4)−0.0076 (14)−0.023 (2)0.037 (2)
Cl1'0.108 (4)0.113 (5)0.095 (4)−0.062 (4)−0.045 (3)0.071 (3)
Cl20.0391 (4)0.0525 (5)0.0281 (4)−0.0224 (4)0.0049 (3)0.0053 (4)
Cl30.0528 (5)0.0230 (4)0.0562 (5)−0.0057 (4)0.0257 (4)−0.0024 (4)
Cl40.0532 (5)0.0366 (4)0.0424 (4)0.0019 (4)0.0325 (4)−0.0098 (3)
Cl50.0294 (5)0.0326 (5)0.0181 (4)0.0024 (4)0.0057 (3)0.0001 (3)
Cl5'0.0318 (19)0.064 (3)0.0287 (18)0.0202 (17)0.0038 (14)−0.0070 (16)
Cl60.0356 (4)0.0606 (6)0.0264 (4)0.0116 (4)0.0134 (3)0.0139 (4)
Cl70.0258 (3)0.0202 (3)0.0283 (3)−0.0052 (3)0.0081 (3)−0.0069 (3)
Cl80.0308 (4)0.0243 (3)0.0205 (3)0.0025 (3)0.0024 (3)0.0084 (3)
N10.0251 (12)0.0269 (13)0.0190 (11)0.0013 (10)0.0085 (10)0.0016 (9)
N20.0209 (12)0.0234 (12)0.0209 (11)0.0007 (9)0.0071 (9)−0.0021 (9)
N30.0191 (11)0.0222 (12)0.0267 (12)0.0003 (9)0.0085 (10)−0.0020 (9)
N40.0273 (13)0.0208 (12)0.0245 (12)0.0009 (10)0.0103 (10)0.0013 (9)
N50.0182 (11)0.0174 (11)0.0161 (10)−0.0003 (9)0.0061 (8)0.0013 (8)
N60.0196 (11)0.0140 (10)0.0160 (10)0.0002 (8)0.0057 (8)0.0012 (8)
N70.0181 (11)0.0164 (11)0.0160 (10)0.0011 (9)0.0053 (8)0.0014 (8)
N80.0215 (11)0.0159 (11)0.0152 (10)0.0000 (9)0.0051 (9)0.0001 (8)
C10.0393 (19)0.056 (2)0.0238 (15)−0.0074 (17)0.0079 (14)−0.0131 (15)
C20.047 (2)0.040 (2)0.0267 (16)−0.0051 (16)0.0001 (15)−0.0064 (14)
C30.059 (3)0.050 (3)0.041 (3)−0.008 (2)−0.011 (2)0.003 (2)
C40.052 (3)0.045 (3)0.051 (5)0.014 (3)−0.006 (3)−0.001 (3)
C50.059 (3)0.048 (7)0.063 (4)0.028 (4)−0.003 (3)−0.010 (5)
C60.057 (3)0.045 (6)0.054 (3)−0.007 (4)0.014 (2)−0.010 (5)
C70.047 (2)0.023 (3)0.039 (3)0.015 (2)−0.0008 (19)−0.011 (3)
C2'0.047 (2)0.040 (2)0.0267 (16)−0.0051 (16)0.0001 (15)−0.0064 (14)
C3'0.059 (3)0.050 (3)0.041 (3)−0.008 (2)−0.011 (2)0.003 (2)
C4'0.052 (3)0.045 (3)0.051 (5)0.014 (3)−0.006 (3)−0.001 (3)
C5'0.059 (3)0.048 (7)0.063 (4)0.028 (4)−0.003 (3)−0.010 (5)
C6'0.057 (3)0.045 (6)0.054 (3)−0.007 (4)0.014 (2)−0.010 (5)
C7'0.047 (2)0.023 (3)0.039 (3)0.015 (2)−0.0008 (19)−0.011 (3)
C80.0294 (16)0.0317 (17)0.0301 (16)0.0083 (13)0.0129 (13)0.0022 (12)
C90.0207 (14)0.0276 (15)0.0264 (14)0.0080 (11)0.0069 (11)0.0022 (12)
C100.0202 (14)0.0308 (16)0.0258 (14)−0.0019 (12)0.0051 (11)0.0056 (12)
C110.0349 (17)0.0286 (16)0.0236 (14)−0.0037 (13)0.0038 (13)−0.0022 (12)
C120.0323 (16)0.0333 (17)0.0217 (14)0.0028 (13)0.0079 (12)−0.0016 (12)
C130.0394 (18)0.0321 (17)0.0299 (16)−0.0022 (14)0.0138 (14)0.0033 (13)
C140.0391 (18)0.0250 (16)0.0296 (15)0.0023 (13)0.0136 (14)0.0002 (12)
C150.0268 (15)0.0370 (17)0.0217 (14)0.0002 (13)0.0102 (12)−0.0003 (12)
C160.0359 (18)0.043 (2)0.0320 (16)−0.0037 (15)0.0187 (14)0.0044 (14)
C170.045 (2)0.0334 (18)0.0356 (17)−0.0040 (15)0.0186 (16)0.0055 (14)
C180.0402 (18)0.0276 (16)0.0290 (15)0.0016 (14)0.0157 (14)0.0040 (12)
C190.0273 (14)0.0262 (15)0.0192 (13)0.0007 (12)0.0079 (11)0.0011 (11)
C200.0210 (13)0.0219 (14)0.0202 (13)0.0016 (11)0.0048 (11)0.0006 (10)
C210.0181 (13)0.0223 (14)0.0230 (13)0.0011 (11)0.0059 (11)−0.0009 (11)
C220.0199 (13)0.0183 (13)0.0245 (13)0.0037 (10)0.0073 (11)0.0016 (10)
C230.0209 (14)0.0270 (15)0.0314 (15)−0.0066 (12)0.0121 (12)−0.0067 (12)
C240.0296 (17)0.0344 (18)0.056 (2)−0.0068 (14)0.0237 (16)−0.0124 (16)
C250.038 (2)0.056 (3)0.079 (3)−0.0167 (18)0.038 (2)−0.032 (2)
C260.049 (2)0.071 (3)0.082 (3)−0.028 (2)0.047 (2)−0.015 (2)
C270.057 (3)0.057 (3)0.093 (4)−0.016 (2)0.041 (3)0.020 (2)
C280.0377 (19)0.037 (2)0.069 (3)−0.0043 (16)0.0299 (19)0.0091 (18)
C290.0188 (13)0.0210 (14)0.0282 (14)−0.0018 (11)0.0096 (11)−0.0051 (11)
C300.0265 (15)0.0252 (15)0.0300 (15)−0.0031 (12)0.0124 (12)−0.0026 (12)
C310.0361 (18)0.043 (2)0.0289 (16)−0.0083 (15)0.0164 (14)−0.0075 (14)
C320.045 (2)0.0374 (19)0.0412 (19)−0.0057 (15)0.0211 (16)−0.0182 (15)
C330.0418 (19)0.0210 (16)0.049 (2)−0.0002 (14)0.0185 (16)−0.0070 (14)
C340.0273 (15)0.0219 (15)0.0360 (16)−0.0006 (12)0.0109 (13)−0.0018 (12)
C350.0232 (14)0.0171 (13)0.0236 (13)−0.0013 (10)0.0109 (11)−0.0016 (10)
C360.0216 (15)0.0170 (14)0.0213 (16)0.0001 (11)0.0118 (13)0.0002 (11)
C370.0196 (17)0.0166 (17)0.0228 (17)0.0021 (13)0.0116 (14)−0.0018 (13)
C380.0257 (18)0.0137 (17)0.0322 (19)−0.0022 (13)0.0138 (16)−0.0054 (14)
C390.035 (2)0.0134 (17)0.040 (2)−0.0002 (15)0.0228 (19)−0.0004 (16)
C400.034 (2)0.0224 (18)0.0302 (19)0.0082 (15)0.0206 (17)0.0036 (15)
C410.0279 (19)0.0250 (18)0.0219 (17)0.0034 (15)0.0131 (15)−0.0021 (14)
C36'0.0216 (15)0.0170 (14)0.0213 (16)0.0001 (11)0.0118 (13)0.0002 (11)
C37'0.0196 (17)0.0166 (17)0.0228 (17)0.0021 (13)0.0116 (14)−0.0018 (13)
C38'0.0257 (18)0.0137 (17)0.0322 (19)−0.0022 (13)0.0138 (16)−0.0054 (14)
C39'0.035 (2)0.0134 (17)0.040 (2)−0.0002 (15)0.0228 (19)−0.0004 (16)
C40'0.034 (2)0.0224 (18)0.0302 (19)0.0082 (15)0.0206 (17)0.0036 (15)
C41'0.0279 (19)0.0250 (18)0.0219 (17)0.0034 (15)0.0131 (15)−0.0021 (14)
C420.0238 (14)0.0210 (14)0.0226 (13)0.0026 (11)0.0086 (11)−0.0032 (11)
C430.0273 (15)0.0194 (14)0.0247 (14)0.0017 (11)0.0125 (12)−0.0022 (11)
C440.0295 (15)0.0295 (16)0.0268 (14)0.0082 (13)0.0136 (12)0.0036 (12)
C450.0345 (17)0.0289 (17)0.0450 (19)0.0005 (13)0.0239 (15)0.0052 (14)
C460.0262 (16)0.042 (2)0.050 (2)−0.0025 (14)0.0178 (15)−0.0062 (16)
C470.0238 (15)0.045 (2)0.0325 (16)0.0075 (14)0.0073 (13)−0.0024 (14)
C480.0282 (15)0.0286 (16)0.0292 (15)0.0058 (12)0.0108 (13)0.0003 (12)
C490.0200 (13)0.0225 (14)0.0163 (12)0.0018 (11)0.0033 (10)0.0026 (10)
C500.0212 (14)0.0272 (15)0.0236 (14)−0.0007 (11)0.0009 (11)−0.0009 (11)
C510.0265 (15)0.0244 (15)0.0277 (15)−0.0076 (12)0.0041 (12)−0.0010 (12)
C520.0288 (15)0.0215 (14)0.0221 (13)−0.0025 (12)0.0044 (12)0.0030 (11)
C530.0202 (13)0.0170 (13)0.0155 (11)0.0010 (10)0.0063 (10)0.0009 (9)
C540.0204 (13)0.0156 (12)0.0153 (11)0.0011 (10)0.0085 (10)0.0006 (9)
C550.0202 (13)0.0168 (13)0.0161 (11)0.0021 (10)0.0094 (10)0.0008 (10)
C560.0181 (12)0.0169 (12)0.0156 (11)0.0035 (10)0.0072 (10)0.0009 (9)
C570.0175 (12)0.0147 (12)0.0182 (12)0.0006 (10)0.0042 (10)0.0040 (9)
C580.0278 (14)0.0193 (14)0.0185 (13)0.0016 (11)0.0060 (11)0.0003 (10)
C590.0333 (16)0.0150 (13)0.0292 (15)0.0019 (11)0.0075 (12)−0.0005 (11)
C600.0305 (15)0.0180 (14)0.0272 (14)0.0016 (11)0.0041 (12)0.0086 (11)
C610.0289 (15)0.0263 (15)0.0178 (13)−0.0008 (12)0.0068 (11)0.0061 (11)
C620.0216 (13)0.0186 (13)0.0196 (12)0.0016 (10)0.0055 (10)0.0012 (10)
C630.0164 (12)0.0156 (12)0.0165 (11)−0.0007 (10)0.0045 (10)0.0030 (9)
C640.0225 (14)0.0206 (14)0.0266 (14)0.0028 (11)0.0068 (11)−0.0020 (11)
C650.0189 (14)0.0283 (16)0.0317 (15)0.0056 (12)−0.0018 (12)0.0022 (12)
C660.0272 (15)0.0280 (16)0.0225 (14)−0.0018 (12)−0.0033 (12)−0.0017 (12)
C670.0280 (15)0.0238 (14)0.0213 (13)−0.0017 (12)0.0050 (12)−0.0048 (11)
C680.0186 (13)0.0187 (13)0.0198 (12)0.0013 (10)0.0037 (10)0.0014 (10)
Geometric parameters (Å, °) top
Sn1—C82.171 (3)C26—C271.3900
Sn1—C12.179 (3)C26—H260.9500
Sn1—N22.367 (2)C27—C281.3900
Sn1—N12.427 (2)C27—H270.9500
Sn1—Cl42.4889 (8)C28—H280.9500
Sn1—Cl32.5014 (9)C29—C301.3900
Sn2—C422.178 (3)C29—C341.3900
Sn2—C352.194 (3)C30—C311.3900
Sn2—N62.395 (2)C30—H300.9500
Sn2—N52.419 (2)C31—C321.3900
Sn2—Cl82.4722 (7)C31—H310.9500
Sn2—Cl72.4808 (7)C32—C331.3900
Cl1—C31.728 (5)C32—H320.9500
Cl1'—C3'1.728 (5)C33—C341.3900
Cl2—C101.7156 (15)C33—H330.9500
Cl5—C371.7258 (19)C34—H340.9500
Cl5'—C37'1.719 (5)C35—C36'1.493 (5)
Cl6—C441.7228 (16)C35—C361.522 (3)
N1—C151.335 (4)C35—H35A0.9900
N1—C191.350 (4)C35—H35B0.9900
N2—N31.332 (3)C35—H35C0.9899
N2—C201.333 (4)C35—H35D0.9899
N3—C211.332 (4)C36—C371.3900
N4—C221.328 (4)C36—C411.3900
N4—C201.336 (4)C37—C381.3900
N5—C491.335 (3)C38—C391.3900
N5—C531.352 (3)C38—H380.9500
N6—C541.329 (3)C39—C401.3900
N6—N71.338 (3)C39—H390.9500
N7—C561.329 (3)C40—C411.3900
N8—C551.331 (3)C40—H400.9500
N8—C541.344 (3)C41—H410.9500
C1—C2'1.515 (7)C36'—C37'1.3900
C1—C21.521 (7)C36'—C41'1.3900
C1—H1A0.9900C37'—C38'1.3900
C1—H1B0.9900C38'—C39'1.3900
C1—H1C0.9900C38'—H38'0.9500
C1—H1D0.9900C39'—C40'1.3900
C2—C31.3900C39'—H39'0.9500
C2—C71.3900C40'—C41'1.3900
C3—C41.3900C40'—H40'0.9500
C4—C51.3900C41'—H41'0.9500
C4—H40.9500C42—C431.526 (3)
C5—C61.3900C42—H42A0.9900
C5—H50.9500C42—H42B0.9900
C6—C71.3900C43—C441.3900
C6—H60.9500C43—C481.3900
C7—H70.9500C44—C451.3900
C2'—C3'1.3900C45—C461.3900
C2'—C7'1.3900C45—H450.9500
C3'—C4'1.3900C46—C471.3900
C4'—C5'1.3900C46—H460.9500
C4'—H4'0.9500C47—C481.3900
C5'—C6'1.3900C47—H470.9500
C5'—H5'0.9500C48—H480.9500
C6'—C7'1.3900C49—C501.393 (4)
C6'—H6'0.9500C49—H490.9500
C7'—H7'0.9500C50—C511.379 (4)
C8—C91.526 (3)C50—H500.9500
C8—H8A0.9900C51—C521.395 (4)
C8—H8B0.9900C51—H510.9500
C9—C101.3900C52—C531.385 (4)
C9—C141.3900C52—H520.9500
C10—C111.3900C53—C541.475 (4)
C11—C121.3900C55—C561.426 (4)
C11—H110.9500C55—C571.482 (3)
C12—C131.3900C56—C631.484 (3)
C12—H120.9500C57—C581.3900
C13—C141.3900C57—C621.3900
C13—H130.9500C58—C591.3900
C14—H140.9500C58—H580.9500
C15—C161.385 (5)C59—C601.3900
C15—H150.9500C59—H590.9500
C16—C171.378 (5)C60—C611.3900
C16—H160.9500C60—H600.9500
C17—C181.389 (4)C61—C621.3900
C17—H170.9500C61—H610.9500
C18—C191.390 (4)C62—H620.9500
C18—H180.9500C63—C641.3900
C19—C201.478 (4)C63—C681.3900
C21—C221.425 (4)C64—C651.3900
C21—C231.474 (3)C64—H640.9500
C22—C291.480 (3)C65—C661.3900
C23—C241.3900C65—H650.9500
C23—C281.3900C66—C671.3900
C24—C251.3900C66—H660.9500
C24—H240.9500C67—C681.3900
C25—C261.3900C67—H670.9500
C25—H250.9500C68—H680.9500
C8—Sn1—C1176.39 (13)C26—C27—H27120.0
C8—Sn1—N287.48 (10)C28—C27—H27120.0
C1—Sn1—N289.03 (10)C27—C28—C23120.0
C8—Sn1—N189.23 (10)C27—C28—H28120.0
C1—Sn1—N188.62 (12)C23—C28—H28120.0
N2—Sn1—N168.20 (8)C30—C29—C34120.0
C8—Sn1—Cl490.57 (8)C30—C29—C22120.59 (15)
C1—Sn1—Cl492.39 (9)C34—C29—C22118.93 (15)
N2—Sn1—Cl4159.62 (6)C31—C30—C29120.0
N1—Sn1—Cl491.50 (6)C31—C30—H30120.0
C8—Sn1—Cl390.80 (9)C29—C30—H30120.0
C1—Sn1—Cl390.74 (11)C30—C31—C32120.0
N2—Sn1—Cl3100.57 (6)C30—C31—H31120.0
N1—Sn1—Cl3168.76 (6)C32—C31—H31120.0
Cl4—Sn1—Cl399.74 (3)C33—C32—C31120.0
C42—Sn2—C35171.34 (10)C33—C32—H32120.0
C42—Sn2—N686.58 (9)C31—C32—H32120.0
C35—Sn2—N685.90 (9)C32—C33—C34120.0
C42—Sn2—N591.92 (9)C32—C33—H33120.0
C35—Sn2—N589.25 (9)C34—C33—H33120.0
N6—Sn2—N568.00 (7)C33—C34—C29120.0
C42—Sn2—Cl893.19 (8)C33—C34—H34120.0
C35—Sn2—Cl895.37 (8)C29—C34—H34120.0
N6—Sn2—Cl8158.90 (6)C36'—C35—Sn2119.1 (4)
N5—Sn2—Cl890.93 (5)C36—C35—Sn2119.17 (19)
C42—Sn2—Cl788.67 (8)C36'—C35—H35A99.3
C35—Sn2—Cl788.54 (7)C36—C35—H35A107.5
N6—Sn2—Cl7100.93 (5)Sn2—C35—H35A107.5
N5—Sn2—Cl7168.85 (5)C36'—C35—H35B115.2
Cl8—Sn2—Cl7100.15 (2)C36—C35—H35B107.5
C15—N1—C19118.3 (3)Sn2—C35—H35B107.5
C15—N1—Sn1123.8 (2)H35A—C35—H35B107.0
C19—N1—Sn1117.81 (18)C36'—C35—H35C106.7
N3—N2—C20120.0 (2)C36—C35—H35C114.3
N3—N2—Sn1119.81 (18)Sn2—C35—H35C108.3
C20—N2—Sn1119.86 (18)C36'—C35—H35D106.8
C21—N3—N2118.7 (2)C36—C35—H35D98.5
C22—N4—C20116.6 (2)Sn2—C35—H35D108.1
C49—N5—C53118.2 (2)H35C—C35—H35D107.4
C49—N5—Sn2123.98 (18)C37—C36—C41120.0
C53—N5—Sn2117.69 (17)C37—C36—C35121.18 (18)
C54—N6—N7120.1 (2)C41—C36—C35118.77 (18)
C54—N6—Sn2118.63 (16)C36—C37—C38120.0
N7—N6—Sn2121.17 (16)C36—C37—Cl5121.56 (14)
C56—N7—N6118.2 (2)C38—C37—Cl5118.43 (14)
C55—N8—C54116.6 (2)C37—C38—C39120.0
C2'—C1—Sn1116.3 (6)C37—C38—H38120.0
C2—C1—Sn1115.6 (6)C39—C38—H38120.0
C2'—C1—H1A108.6C40—C39—C38120.0
C2—C1—H1A108.4C40—C39—H39120.0
Sn1—C1—H1A108.4C38—C39—H39120.0
C2'—C1—H1B107.4C41—C40—C39120.0
C2—C1—H1B108.4C41—C40—H40120.0
Sn1—C1—H1B108.4C39—C40—H40120.0
H1A—C1—H1B107.4C40—C41—C36120.0
C2'—C1—H1C108.2C40—C41—H41120.0
C2—C1—H1C108.0C36—C41—H41120.0
Sn1—C1—H1C108.2C37'—C36'—C41'120.0
C2'—C1—H1D108.2C37'—C36'—C35121.0 (5)
C2—C1—H1D109.2C41'—C36'—C35118.9 (5)
Sn1—C1—H1D108.2C36'—C37'—C38'120.0
H1C—C1—H1D107.4C36'—C37'—Cl5'121.7 (4)
C3—C2—C7120.0C38'—C37'—Cl5'118.3 (4)
C3—C2—C1124.8 (5)C39'—C38'—C37'120.0
C7—C2—C1115.1 (5)C39'—C38'—H38'120.0
C4—C3—C2120.0C37'—C38'—H38'120.0
C4—C3—Cl1118.5 (4)C38'—C39'—C40'120.0
C2—C3—Cl1121.5 (4)C38'—C39'—H39'120.0
C3—C4—C5120.0C40'—C39'—H39'120.0
C3—C4—H4120.0C39'—C40'—C41'120.0
C5—C4—H4120.0C39'—C40'—H40'120.0
C4—C5—C6120.0C41'—C40'—H40'120.0
C4—C5—H5120.0C40'—C41'—C36'120.0
C6—C5—H5120.0C40'—C41'—H41'120.0
C5—C6—C7120.0C36'—C41'—H41'120.0
C5—C6—H6120.0C43—C42—Sn2114.53 (17)
C7—C6—H6120.0C43—C42—H42A108.6
C6—C7—C2120.0Sn2—C42—H42A108.6
C6—C7—H7120.0C43—C42—H42B108.6
C2—C7—H7120.0Sn2—C42—H42B108.6
C3'—C2'—C7'120.0H42A—C42—H42B107.6
C3'—C2'—C1115.2 (5)C44—C43—C48120.0
C7'—C2'—C1124.7 (5)C44—C43—C42121.60 (16)
C2'—C3'—C4'120.0C48—C43—C42117.96 (16)
C2'—C3'—Cl1'121.8 (4)C43—C44—C45120.0
C4'—C3'—Cl1'118.2 (4)C43—C44—Cl6122.75 (12)
C5'—C4'—C3'120.0C45—C44—Cl6117.07 (11)
C5'—C4'—H4'120.0C46—C45—C44120.0
C3'—C4'—H4'120.0C46—C45—H45120.0
C4'—C5'—C6'120.0C44—C45—H45120.0
C4'—C5'—H5'120.0C45—C46—C47120.0
C6'—C5'—H5'120.0C45—C46—H46120.0
C5'—C6'—C7'120.0C47—C46—H46120.0
C5'—C6'—H6'120.0C48—C47—C46120.0
C7'—C6'—H6'120.0C48—C47—H47120.0
C6'—C7'—C2'120.0C46—C47—H47120.0
C6'—C7'—H7'120.0C47—C48—C43120.0
C2'—C7'—H7'120.0C47—C48—H48120.0
C9—C8—Sn1117.65 (18)C43—C48—H48120.0
C9—C8—H8A107.9N5—C49—C50122.6 (3)
Sn1—C8—H8A107.9N5—C49—H49118.7
C9—C8—H8B107.9C50—C49—H49118.7
Sn1—C8—H8B107.9C51—C50—C49119.0 (3)
H8A—C8—H8B107.2C51—C50—H50120.5
C10—C9—C14120.0C49—C50—H50120.5
C10—C9—C8120.91 (17)C50—C51—C52119.2 (3)
C14—C9—C8119.01 (17)C50—C51—H51120.4
C11—C10—C9120.0C52—C51—H51120.4
C11—C10—Cl2117.39 (11)C53—C52—C51118.2 (3)
C9—C10—Cl2122.61 (11)C53—C52—H52120.9
C10—C11—C12120.0C51—C52—H52120.9
C10—C11—H11120.0N5—C53—C52122.9 (2)
C12—C11—H11120.0N5—C53—C54116.5 (2)
C13—C12—C11120.0C52—C53—C54120.6 (2)
C13—C12—H12120.0N6—C54—N8124.5 (2)
C11—C12—H12120.0N6—C54—C53117.5 (2)
C12—C13—C14120.0N8—C54—C53118.0 (2)
C12—C13—H13120.0N8—C55—C56119.4 (2)
C14—C13—H13120.0N8—C55—C57115.3 (2)
C13—C14—C9120.0C56—C55—C57125.3 (2)
C13—C14—H14120.0N7—C56—C55120.9 (2)
C9—C14—H14120.0N7—C56—C63114.9 (2)
N1—C15—C16122.6 (3)C55—C56—C63124.2 (2)
N1—C15—H15118.7C58—C57—C62120.0
C16—C15—H15118.7C58—C57—C55118.65 (14)
C17—C16—C15118.8 (3)C62—C57—C55120.94 (14)
C17—C16—H16120.6C59—C58—C57120.0
C15—C16—H16120.6C59—C58—H58120.0
C16—C17—C18119.6 (3)C57—C58—H58120.0
C16—C17—H17120.2C58—C59—C60120.0
C18—C17—H17120.2C58—C59—H59120.0
C17—C18—C19118.0 (3)C60—C59—H59120.0
C17—C18—H18121.0C61—C60—C59120.0
C19—C18—H18121.0C61—C60—H60120.0
N1—C19—C18122.6 (3)C59—C60—H60120.0
N1—C19—C20116.2 (3)C60—C61—C62120.0
C18—C19—C20121.2 (3)C60—C61—H61120.0
N2—C20—N4124.1 (3)C62—C61—H61120.0
N2—C20—C19117.0 (2)C61—C62—C57120.0
N4—C20—C19118.8 (3)C61—C62—H62120.0
N3—C21—C22119.7 (2)C57—C62—H62120.0
N3—C21—C23115.1 (2)C64—C63—C68120.0
C22—C21—C23125.2 (2)C64—C63—C56121.38 (14)
N4—C22—C21119.7 (3)C68—C63—C56118.44 (14)
N4—C22—C29115.7 (2)C65—C64—C63120.0
C21—C22—C29124.4 (2)C65—C64—H64120.0
C24—C23—C28120.0C63—C64—H64120.0
C24—C23—C21120.99 (17)C66—C65—C64120.0
C28—C23—C21119.01 (17)C66—C65—H65120.0
C25—C24—C23120.0C64—C65—H65120.0
C25—C24—H24120.0C65—C66—C67120.0
C23—C24—H24120.0C65—C66—H66120.0
C24—C25—C26120.0C67—C66—H66120.0
C24—C25—H25120.0C68—C67—C66120.0
C26—C25—H25120.0C68—C67—H67120.0
C25—C26—C27120.0C66—C67—H67120.0
C25—C26—H26120.0C67—C68—C63120.0
C27—C26—H26120.0C67—C68—H68120.0
C26—C27—C28120.0C63—C68—H68120.0
C8—Sn1—N1—C15−94.3 (2)N3—C21—C23—C28−38.4 (3)
C1—Sn1—N1—C1588.6 (2)C22—C21—C23—C28141.9 (2)
N2—Sn1—N1—C15178.1 (2)C28—C23—C24—C250.0
Cl4—Sn1—N1—C15−3.8 (2)C21—C23—C24—C25−179.4 (2)
Cl3—Sn1—N1—C15175.4 (2)C23—C24—C25—C260.0
C8—Sn1—N1—C1987.1 (2)C24—C25—C26—C270.0
C1—Sn1—N1—C19−90.0 (2)C25—C26—C27—C280.0
N2—Sn1—N1—C19−0.52 (19)C26—C27—C28—C230.0
Cl4—Sn1—N1—C19177.6 (2)C24—C23—C28—C270.0
Cl3—Sn1—N1—C19−3.2 (5)C21—C23—C28—C27179.4 (2)
C8—Sn1—N2—N389.1 (2)N4—C22—C29—C30133.9 (2)
C1—Sn1—N2—N3−91.8 (2)C21—C22—C29—C30−41.6 (3)
N1—Sn1—N2—N3179.3 (2)N4—C22—C29—C34−38.1 (3)
Cl4—Sn1—N2—N3173.92 (14)C21—C22—C29—C34146.4 (2)
Cl3—Sn1—N2—N3−1.3 (2)C34—C29—C30—C310.0
C8—Sn1—N2—C20−83.9 (2)C22—C29—C30—C31−171.9 (2)
C1—Sn1—N2—C2095.2 (2)C29—C30—C31—C320.0
N1—Sn1—N2—C206.29 (19)C30—C31—C32—C330.0
Cl4—Sn1—N2—C200.9 (3)C31—C32—C33—C340.0
Cl3—Sn1—N2—C20−174.24 (19)C32—C33—C34—C290.0
C20—N2—N3—C215.5 (4)C30—C29—C34—C330.0
Sn1—N2—N3—C21−167.50 (19)C22—C29—C34—C33172.1 (2)
C42—Sn2—N5—C4989.3 (2)N6—Sn2—C35—C36'58.9 (4)
C35—Sn2—N5—C49−99.3 (2)N5—Sn2—C35—C36'−9.1 (4)
N6—Sn2—N5—C49174.8 (2)Cl8—Sn2—C35—C36'−100.0 (4)
Cl8—Sn2—N5—C49−3.9 (2)Cl7—Sn2—C35—C36'160.0 (4)
Cl7—Sn2—N5—C49−177.8 (2)N6—Sn2—C35—C3648.0 (2)
C42—Sn2—N5—C53−95.51 (19)N5—Sn2—C35—C36−20.0 (2)
C35—Sn2—N5—C5375.90 (19)Cl8—Sn2—C35—C36−110.84 (19)
N6—Sn2—N5—C53−9.98 (17)Cl7—Sn2—C35—C36149.10 (19)
Cl8—Sn2—N5—C53171.26 (18)C36'—C35—C36—C37−6(3)
Cl7—Sn2—N5—C53−2.7 (4)Sn2—C35—C36—C3786.3 (2)
C42—Sn2—N6—C54104.8 (2)C36'—C35—C36—C41177 (3)
C35—Sn2—N6—C54−79.5 (2)Sn2—C35—C36—C41−91.2 (2)
N5—Sn2—N6—C5411.35 (18)C41—C36—C37—C380.0
Cl8—Sn2—N6—C5414.8 (3)C35—C36—C37—C38−177.4 (3)
Cl7—Sn2—N6—C54−167.21 (18)C41—C36—C37—Cl5−178.96 (16)
C42—Sn2—N6—N7−79.56 (19)C35—C36—C37—Cl53.6 (2)
C35—Sn2—N6—N796.13 (19)C36—C37—C38—C390.0
N5—Sn2—N6—N7−173.0 (2)Cl5—C37—C38—C39178.99 (16)
Cl8—Sn2—N6—N7−169.56 (12)C37—C38—C39—C400.0
Cl7—Sn2—N6—N78.42 (18)C38—C39—C40—C410.0
C54—N6—N7—C560.5 (3)C39—C40—C41—C360.0
Sn2—N6—N7—C56−175.11 (17)C37—C36—C41—C400.0
N2—Sn1—C1—C2'22.6 (4)C35—C36—C41—C40177.5 (3)
N1—Sn1—C1—C2'90.8 (4)C36—C35—C36'—C37'−7(2)
Cl4—Sn1—C1—C2'−177.8 (4)Sn2—C35—C36'—C37'−100.2 (6)
Cl3—Sn1—C1—C2'−78.0 (4)C36—C35—C36'—C41'169 (3)
N2—Sn1—C1—C223.4 (4)Sn2—C35—C36'—C41'76.3 (4)
N1—Sn1—C1—C291.6 (4)C41'—C36'—C37'—C38'0.0
Cl4—Sn1—C1—C2−176.9 (4)C35—C36'—C37'—C38'176.4 (9)
Cl3—Sn1—C1—C2−77.2 (4)C41'—C36'—C37'—Cl5'179.4 (2)
C2'—C1—C2—C337 (69)C35—C36'—C37'—Cl5'−4.2 (8)
Sn1—C1—C2—C3−95.9 (10)C36'—C37'—C38'—C39'0.0
C2'—C1—C2—C7−146 (70)Cl5'—C37'—C38'—C39'−179.4 (2)
Sn1—C1—C2—C780.9 (4)C37'—C38'—C39'—C40'0.0
C7—C2—C3—C40.0C38'—C39'—C40'—C41'0.0
C1—C2—C3—C4176.7 (13)C39'—C40'—C41'—C36'0.0
C7—C2—C3—Cl1179.4 (2)C37'—C36'—C41'—C40'0.0
C1—C2—C3—Cl1−3.9 (13)C35—C36'—C41'—C40'−176.5 (8)
C2—C3—C4—C50.0N6—Sn2—C42—C43−77.73 (18)
Cl1—C3—C4—C5−179.4 (2)N5—Sn2—C42—C43−9.90 (18)
C3—C4—C5—C60.0Cl8—Sn2—C42—C4381.14 (17)
C4—C5—C6—C70.0Cl7—Sn2—C42—C43−178.76 (17)
C5—C6—C7—C20.0Sn2—C42—C43—C4494.20 (18)
C3—C2—C7—C60.0Sn2—C42—C43—C48−78.18 (19)
C1—C2—C7—C6−177.0 (12)C48—C43—C44—C450.0
C2—C1—C2'—C3'−151 (71)C42—C43—C44—C45−172.2 (2)
Sn1—C1—C2'—C3'−103.9 (8)C48—C43—C44—Cl6−174.94 (16)
C2—C1—C2'—C7'25 (70)C42—C43—C44—Cl612.8 (2)
Sn1—C1—C2'—C7'72.3 (6)C43—C44—C45—C460.0
C7'—C2'—C3'—C4'0.0Cl6—C44—C45—C46175.22 (16)
C1—C2'—C3'—C4'176.4 (12)C44—C45—C46—C470.0
C7'—C2'—C3'—Cl1'179.3 (2)C45—C46—C47—C480.0
C1—C2'—C3'—Cl1'−4.3 (11)C46—C47—C48—C430.0
C2'—C3'—C4'—C5'0.0C44—C43—C48—C470.0
Cl1'—C3'—C4'—C5'−179.4 (2)C42—C43—C48—C47172.5 (2)
C3'—C4'—C5'—C6'0.0C53—N5—C49—C50−0.4 (4)
C4'—C5'—C6'—C7'0.0Sn2—N5—C49—C50174.8 (2)
C5'—C6'—C7'—C2'0.0N5—C49—C50—C51−0.8 (4)
C3'—C2'—C7'—C6'0.0C49—C50—C51—C520.9 (5)
C1—C2'—C7'—C6'−176.0 (13)C50—C51—C52—C530.0 (4)
N2—Sn1—C8—C9−24.3 (2)C49—N5—C53—C521.3 (4)
N1—Sn1—C8—C9−92.5 (2)Sn2—N5—C53—C52−174.1 (2)
Cl4—Sn1—C8—C9176.0 (2)C49—N5—C53—C54−176.4 (2)
Cl3—Sn1—C8—C976.3 (2)Sn2—N5—C53—C548.1 (3)
Sn1—C8—C9—C10102.9 (2)C51—C52—C53—N5−1.1 (4)
Sn1—C8—C9—C14−80.2 (2)C51—C52—C53—C54176.5 (3)
C14—C9—C10—C110.0N7—N6—C54—N8−5.3 (4)
C8—C9—C10—C11176.8 (2)Sn2—N6—C54—N8170.41 (19)
C14—C9—C10—Cl2−179.96 (16)N7—N6—C54—C53172.6 (2)
C8—C9—C10—Cl2−3.1 (2)Sn2—N6—C54—C53−11.7 (3)
C9—C10—C11—C120.0C55—N8—C54—N64.6 (4)
Cl2—C10—C11—C12179.96 (16)C55—N8—C54—C53−173.3 (2)
C10—C11—C12—C130.0N5—C53—C54—N62.3 (3)
C11—C12—C13—C140.0C52—C53—C54—N6−175.5 (3)
C12—C13—C14—C90.0N5—C53—C54—N8−179.7 (2)
C10—C9—C14—C130.0C52—C53—C54—N82.5 (4)
C8—C9—C14—C13−176.9 (2)C54—N8—C55—C560.5 (3)
C19—N1—C15—C162.7 (4)C54—N8—C55—C57179.9 (2)
Sn1—N1—C15—C16−175.9 (2)N6—N7—C56—C554.4 (4)
N1—C15—C16—C17−1.1 (5)N6—N7—C56—C63−174.47 (19)
C15—C16—C17—C18−1.0 (5)N8—C55—C56—N7−5.0 (4)
C16—C17—C18—C191.4 (5)C57—C55—C56—N7175.7 (2)
C15—N1—C19—C18−2.2 (4)N8—C55—C56—C63173.8 (2)
Sn1—N1—C19—C18176.5 (2)C57—C55—C56—C63−5.5 (4)
C15—N1—C19—C20176.8 (2)N8—C55—C57—C5846.9 (3)
Sn1—N1—C19—C20−4.5 (3)C56—C55—C57—C58−133.8 (2)
C17—C18—C19—N10.2 (5)N8—C55—C57—C62−125.8 (2)
C17—C18—C19—C20−178.8 (3)C56—C55—C57—C6253.5 (3)
N3—N2—C20—N4−8.8 (4)C62—C57—C58—C590.0
Sn1—N2—C20—N4164.2 (2)C55—C57—C58—C59−172.76 (19)
N3—N2—C20—C19176.0 (2)C57—C58—C59—C600.0
Sn1—N2—C20—C19−11.0 (3)C58—C59—C60—C610.0
C22—N4—C20—N21.4 (4)C59—C60—C61—C620.0
C22—N4—C20—C19176.5 (2)C60—C61—C62—C570.0
N1—C19—C20—N210.2 (4)C58—C57—C62—C610.0
C18—C19—C20—N2−170.8 (3)C55—C57—C62—C61172.59 (19)
N1—C19—C20—N4−165.3 (3)N7—C56—C63—C64−125.0 (2)
C18—C19—C20—N413.7 (4)C55—C56—C63—C6456.1 (3)
N2—N3—C21—C224.2 (4)N7—C56—C63—C6859.9 (2)
N2—N3—C21—C23−175.5 (2)C55—C56—C63—C68−119.0 (2)
C20—N4—C22—C218.4 (4)C68—C63—C64—C650.0
C20—N4—C22—C29−167.3 (2)C56—C63—C64—C65−175.05 (19)
N3—C21—C22—N4−11.5 (4)C63—C64—C65—C660.0
C23—C21—C22—N4168.2 (2)C64—C65—C66—C670.0
N3—C21—C22—C29163.9 (2)C65—C66—C67—C680.0
C23—C21—C22—C29−16.5 (4)C66—C67—C68—C630.0
N3—C21—C23—C24141.0 (2)C64—C63—C68—C670.0
C22—C21—C23—C24−38.7 (3)C56—C63—C68—C67175.19 (19)
Acknowledgements top

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

references
References top

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191.

Bruker (2007). APEX2 [SMART?] and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.

Chadha, S. L., Harrison, P. G. & Molloy, K. C. (1980). J. Organomet. Chem. 202, 247–256.

Gill, J., Parge, H., Cardin, C. J., Tsiamis, C. & Kavounis, C. (1999). Acta Cryst. C55, 875–876.

Kuang, D.-Z. & Feng, Y.-L. (2000). Chin. J. Inorg. Chem. 16, 603–606.

Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Sisido, K., Takeda, Y. & Kinugawa, Z. (1961). J. Am. Chem. Soc. 83, 538–541.

Tiekink, E. R. T., Hall, V. J., Buntine, M. A. & Hook, J. (2000). Z. Kristallogr. 215, 23–33.

Westrip, S. P. (2009). publCIF. In preparation.