Download citation
Download citation
link to html
The title compound, [Sn2(C10H13)6(C8H4O4)], crystallizes with one molecule per asymmetric unit. The phthalate dianion binds two sterically crowded triorganotin entities and both Sn atoms exist in tetrahedral environments.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031952/cv6425sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031952/cv6425Isup2.hkl
Contains datablock I

CCDC reference: 262244

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.055
  • wR factor = 0.115
  • Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found



Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.579 0.958 Tmin' and Tmax expected: 0.862 0.958 RR' = 0.671 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.67
Alert level C PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 42 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.19 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C17 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

µ-Phthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)] top
Crystal data top
[Sn2(C10H13)6(C8H4O4)]F(000) = 2488
Mr = 1200.72Dx = 1.306 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 5502 reflections
a = 9.5514 (4) Åθ = 2.3–20.0°
b = 18.0919 (8) ŵ = 0.86 mm1
c = 35.497 (2) ÅT = 295 K
β = 95.170 (1)°Needle, colorless
V = 6109.0 (5) Å30.17 × 0.06 × 0.05 mm
Z = 4
Data collection top
Bruker APEX area-detector
diffractometer
10778 independent reflections
Radiation source: fine-focus sealed tube7651 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.073
φ and ω scanθmax = 25.0°, θmin = 1.2°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1111
Tmin = 0.579, Tmax = 0.958k = 2121
43944 measured reflectionsl = 4242
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)] = 0.055Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0488P)2]
where P = (Fo2 + 2Fc2)/3
10778 reflections(Δ/σ)max = 0.001
583 parametersΔρmax = 0.58 e Å3
0 restraintsΔρmin = 0.46 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.47758 (4)0.67421 (2)0.548506 (9)0.04249 (12)
Sn20.53560 (4)0.572670 (19)0.746662 (9)0.04120 (11)
O10.3443 (4)0.59237 (19)0.56496 (9)0.0550 (10)
O20.5096 (4)0.5540 (2)0.60812 (12)0.0734 (13)
O30.4289 (4)0.50608 (19)0.70576 (9)0.0551 (10)
O40.3698 (5)0.6088 (2)0.67461 (11)0.0738 (12)
C10.6518 (5)0.6194 (3)0.52650 (15)0.0519 (14)
H1a0.64050.56670.53010.062*
H1b0.64590.62820.49950.062*
C20.8017 (5)0.6410 (3)0.54323 (14)0.0494 (14)
C30.8245 (6)0.6107 (3)0.58334 (15)0.0656 (17)
H3a0.75800.63280.59870.098*
H3b0.91820.62220.59380.098*
H3c0.81180.55810.58290.098*
C40.9084 (6)0.6026 (3)0.51981 (17)0.0707 (18)
H4a1.00210.61530.52980.106*
H4b0.89360.61850.49400.106*
H4c0.89620.55000.52110.106*
C50.8230 (4)0.72499 (16)0.54096 (10)0.0460 (13)
C60.8701 (4)0.7662 (2)0.57265 (8)0.0594 (16)
H60.89030.74280.59590.071*
C70.8871 (4)0.8422 (2)0.56967 (11)0.0725 (19)
H70.91860.86970.59090.087*
C80.8569 (4)0.87703 (16)0.53499 (14)0.081 (2)
H80.86830.92790.53300.098*
C90.8098 (4)0.8359 (2)0.50329 (11)0.086 (2)
H90.78960.85920.48010.104*
C100.7928 (4)0.7598 (2)0.50628 (8)0.0685 (17)
H100.76130.73230.48510.082*
C110.5115 (5)0.7373 (3)0.59949 (13)0.0462 (13)
H11a0.52740.70280.62040.055*
H11b0.59770.76520.59830.055*
C120.3957 (5)0.7919 (3)0.60934 (14)0.0491 (14)
C130.4416 (6)0.8245 (3)0.64860 (15)0.0729 (18)
H13a0.52860.85070.64760.109*
H13b0.45420.78520.66680.109*
H13c0.37060.85790.65590.109*
C140.2579 (6)0.7498 (3)0.61262 (17)0.0706 (18)
H14a0.22660.72850.58860.106*
H14b0.18770.78340.62020.106*
H14c0.27320.71140.63120.106*
C150.3806 (5)0.85560 (19)0.58126 (10)0.0542 (15)
C160.4993 (4)0.8978 (3)0.57639 (13)0.089 (2)
H160.58470.88620.58980.107*
C170.4903 (5)0.9573 (2)0.55154 (15)0.128 (3)
H170.56970.98560.54830.154*
C180.3626 (7)0.9747 (2)0.53156 (13)0.122 (3)
H180.35661.01450.51490.146*
C190.2440 (5)0.9325 (3)0.53643 (12)0.095 (2)
H190.15860.94410.52310.114*
C200.2530 (4)0.8730 (2)0.56128 (12)0.0696 (18)
H200.17360.84470.56450.084*
C210.3216 (6)0.7202 (3)0.50783 (14)0.0557 (15)
H21a0.23120.71330.51780.067*
H21b0.33820.77310.50720.067*
C220.3061 (6)0.6932 (3)0.46640 (15)0.0530 (14)
C230.1664 (6)0.7244 (3)0.44763 (16)0.0725 (18)
H23a0.08990.70700.46110.109*
H23b0.15320.70800.42180.109*
H23c0.16920.77740.44830.109*
C240.2947 (7)0.6083 (3)0.46618 (17)0.0767 (19)
H24a0.21790.59340.48020.115*
H24b0.38050.58740.47770.115*
H24c0.27840.59110.44060.115*
C250.4266 (4)0.7216 (2)0.44436 (9)0.0485 (14)
C260.4520 (4)0.79722 (19)0.44433 (10)0.0608 (16)
H260.39950.82870.45830.073*
C270.5558 (5)0.8258 (2)0.42348 (12)0.082 (2)
H270.57280.87650.42350.099*
C280.6343 (4)0.7788 (3)0.40266 (11)0.101 (3)
H280.70380.79790.38870.121*
C290.6089 (4)0.7032 (3)0.40268 (11)0.094 (2)
H290.66140.67170.38880.113*
C300.5051 (5)0.67454 (18)0.42353 (11)0.0717 (18)
H300.48810.62390.42360.086*
C310.3719 (5)0.6264 (3)0.77354 (15)0.0527 (14)
H31a0.28300.61180.76020.063*
H31b0.37320.60690.79900.063*
C320.3724 (6)0.7113 (3)0.77646 (15)0.0539 (15)
C330.2584 (6)0.7355 (3)0.80211 (19)0.085 (2)
H33a0.16820.71830.79160.127*
H33b0.25710.78850.80380.127*
H33c0.27890.71480.82690.127*
C340.3342 (7)0.7424 (3)0.73668 (17)0.081 (2)
H34a0.40370.72740.72030.121*
H34b0.33120.79540.73780.121*
H34c0.24390.72400.72700.121*
C350.5167 (4)0.7391 (2)0.79386 (10)0.0471 (14)
C360.5748 (5)0.7064 (2)0.82709 (10)0.0687 (17)
H360.52840.66760.83780.082*
C370.7024 (5)0.7317 (3)0.84429 (10)0.092 (2)
H370.74130.70980.86650.111*
C380.7718 (4)0.7897 (3)0.82826 (16)0.102 (3)
H380.85710.80660.83980.122*
C390.7136 (5)0.8224 (2)0.79502 (16)0.097 (3)
H390.76010.86120.78430.117*
C400.5861 (5)0.7971 (2)0.77783 (10)0.0680 (18)
H400.54720.81900.75560.082*
C410.6803 (5)0.6381 (3)0.71767 (14)0.0493 (14)
H41a0.63330.65270.69340.059*
H41b0.69990.68290.73220.059*
C420.8224 (5)0.6024 (3)0.71039 (14)0.0479 (13)
C430.9138 (6)0.6603 (3)0.69223 (17)0.0717 (18)
H43a1.00230.63850.68760.108*
H43b0.92980.70160.70900.108*
H43c0.86640.67680.66880.108*
C440.7918 (6)0.5387 (3)0.68221 (14)0.0626 (16)
H44a0.87850.51540.67720.094*
H44b0.74600.55770.65900.094*
H44c0.73180.50310.69280.094*
C450.9031 (3)0.5769 (2)0.74766 (8)0.0467 (13)
C460.9688 (4)0.50836 (19)0.75046 (11)0.0620 (16)
H460.96830.47800.72930.074*
C471.0352 (4)0.4851 (2)0.78489 (14)0.0759 (19)
H471.07910.43930.78680.091*
C481.0358 (4)0.5305 (3)0.81651 (10)0.081 (2)
H481.08020.51500.83950.097*
C490.9701 (4)0.5991 (2)0.81371 (9)0.0741 (19)
H490.97060.62940.83490.089*
C500.9037 (4)0.62230 (17)0.77928 (11)0.0604 (16)
H500.85980.66820.77740.072*
C510.6315 (5)0.4807 (3)0.77731 (14)0.0473 (13)
H51a0.65760.44510.75870.057*
H51b0.71830.49850.79050.057*
C520.5533 (5)0.4379 (3)0.80622 (14)0.0480 (13)
C530.4093 (6)0.4130 (3)0.78768 (16)0.0757 (19)
H53a0.35410.45570.78000.114*
H53b0.36150.38480.80550.114*
H53c0.42240.38310.76590.114*
C540.6404 (7)0.3679 (3)0.81774 (17)0.084 (2)
H54a0.64970.33800.79580.125*
H54b0.59340.34010.83590.125*
H54c0.73190.38220.82870.125*
C550.5407 (4)0.48332 (19)0.84239 (9)0.0461 (13)
C560.6613 (3)0.5134 (2)0.86127 (12)0.0682 (17)
H560.74790.50670.85170.082*
C570.6523 (5)0.5533 (2)0.89441 (12)0.094 (2)
H570.73300.57340.90700.113*
C580.5228 (7)0.5632 (2)0.90867 (9)0.101 (3)
H580.51680.59000.93080.121*
C590.4022 (5)0.5332 (3)0.88979 (13)0.097 (2)
H590.31550.53980.89930.116*
C600.4111 (3)0.4932 (2)0.85665 (12)0.0683 (17)
H600.33040.47310.84400.082*
C610.3894 (6)0.5539 (3)0.59470 (14)0.0446 (13)
C620.2777 (3)0.50831 (17)0.61057 (8)0.0400 (12)
C630.1790 (4)0.47299 (19)0.58559 (7)0.0548 (15)
H63a0.17770.48170.55970.066*
C640.0823 (3)0.42474 (19)0.59924 (10)0.0658 (17)
H64a0.01620.40110.58250.079*
C650.0842 (3)0.41179 (18)0.63789 (11)0.0642 (17)
H65a0.01940.37950.64700.077*
C660.1828 (4)0.44710 (19)0.66287 (7)0.0536 (15)
H660.18410.43840.68870.064*
C670.2796 (3)0.49536 (18)0.64921 (8)0.0411 (12)
C680.3667 (6)0.5420 (3)0.67786 (15)0.0537 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0445 (2)0.0437 (2)0.0392 (2)0.00401 (18)0.00360 (16)0.00404 (17)
Sn20.0505 (2)0.0361 (2)0.0362 (2)0.00009 (18)0.00008 (16)0.00090 (16)
O10.062 (2)0.058 (2)0.043 (2)0.0221 (19)0.0049 (18)0.0100 (18)
O20.051 (3)0.087 (3)0.080 (3)0.019 (2)0.010 (2)0.029 (2)
O30.074 (3)0.052 (2)0.037 (2)0.011 (2)0.0099 (19)0.0013 (18)
O40.108 (4)0.041 (2)0.066 (3)0.005 (2)0.026 (2)0.001 (2)
C10.060 (4)0.047 (3)0.050 (3)0.003 (3)0.009 (3)0.007 (3)
C20.045 (3)0.064 (4)0.040 (3)0.002 (3)0.009 (3)0.001 (3)
C30.064 (4)0.077 (4)0.056 (4)0.009 (3)0.003 (3)0.012 (3)
C40.067 (4)0.067 (4)0.081 (4)0.004 (3)0.022 (4)0.007 (3)
C50.039 (3)0.053 (4)0.046 (3)0.001 (3)0.003 (3)0.005 (3)
C60.045 (4)0.078 (5)0.054 (4)0.010 (3)0.002 (3)0.009 (3)
C70.053 (4)0.081 (5)0.083 (5)0.010 (4)0.001 (4)0.023 (4)
C80.071 (5)0.056 (4)0.114 (6)0.006 (4)0.010 (4)0.001 (4)
C90.104 (6)0.063 (5)0.086 (5)0.010 (4)0.026 (4)0.021 (4)
C100.087 (5)0.057 (4)0.058 (4)0.004 (4)0.015 (3)0.001 (3)
C110.045 (3)0.050 (3)0.043 (3)0.002 (3)0.001 (3)0.004 (3)
C120.047 (3)0.053 (3)0.047 (3)0.001 (3)0.009 (3)0.006 (3)
C130.087 (5)0.078 (5)0.055 (4)0.005 (4)0.016 (3)0.015 (3)
C140.061 (4)0.071 (4)0.084 (5)0.005 (3)0.029 (4)0.016 (3)
C150.057 (4)0.048 (3)0.058 (4)0.009 (3)0.010 (3)0.000 (3)
C160.078 (5)0.077 (5)0.115 (6)0.005 (4)0.024 (4)0.035 (4)
C170.124 (8)0.094 (7)0.174 (9)0.003 (6)0.051 (7)0.050 (6)
C180.155 (8)0.091 (6)0.130 (7)0.047 (6)0.073 (7)0.057 (5)
C190.101 (6)0.092 (6)0.096 (6)0.044 (5)0.023 (5)0.024 (5)
C200.063 (4)0.074 (5)0.074 (4)0.014 (4)0.013 (4)0.010 (4)
C210.053 (4)0.064 (4)0.050 (3)0.006 (3)0.001 (3)0.014 (3)
C220.060 (4)0.051 (4)0.046 (3)0.007 (3)0.001 (3)0.004 (3)
C230.058 (4)0.091 (5)0.066 (4)0.010 (4)0.011 (3)0.021 (4)
C240.101 (5)0.059 (4)0.067 (4)0.019 (4)0.009 (4)0.005 (3)
C250.050 (3)0.059 (4)0.034 (3)0.000 (3)0.010 (3)0.002 (3)
C260.066 (4)0.060 (4)0.056 (4)0.011 (3)0.001 (3)0.002 (3)
C270.086 (5)0.083 (5)0.076 (5)0.031 (4)0.004 (4)0.025 (4)
C280.080 (5)0.160 (8)0.065 (5)0.012 (6)0.019 (4)0.024 (5)
C290.089 (6)0.136 (7)0.058 (4)0.031 (5)0.017 (4)0.007 (5)
C300.084 (5)0.085 (5)0.045 (3)0.010 (4)0.004 (3)0.003 (3)
C310.055 (4)0.047 (3)0.057 (3)0.000 (3)0.014 (3)0.007 (3)
C320.065 (4)0.045 (3)0.053 (3)0.009 (3)0.011 (3)0.000 (3)
C330.076 (5)0.068 (5)0.115 (6)0.006 (4)0.038 (4)0.028 (4)
C340.102 (5)0.062 (4)0.076 (5)0.025 (4)0.007 (4)0.001 (4)
C350.067 (4)0.036 (3)0.040 (3)0.006 (3)0.014 (3)0.009 (2)
C360.090 (5)0.065 (4)0.050 (4)0.006 (4)0.005 (3)0.004 (3)
C370.107 (6)0.102 (6)0.064 (5)0.013 (5)0.015 (4)0.025 (4)
C380.086 (6)0.096 (7)0.123 (7)0.009 (5)0.006 (6)0.057 (5)
C390.107 (7)0.064 (5)0.125 (7)0.026 (5)0.037 (5)0.019 (5)
C400.083 (5)0.044 (4)0.078 (4)0.005 (3)0.012 (4)0.001 (3)
C410.056 (4)0.040 (3)0.052 (3)0.006 (3)0.004 (3)0.010 (3)
C420.053 (4)0.042 (3)0.048 (3)0.004 (3)0.004 (3)0.005 (3)
C430.081 (5)0.067 (4)0.070 (4)0.006 (3)0.022 (4)0.016 (3)
C440.078 (4)0.060 (4)0.050 (3)0.011 (3)0.007 (3)0.004 (3)
C450.039 (3)0.047 (3)0.054 (3)0.011 (3)0.007 (3)0.001 (3)
C460.055 (4)0.061 (4)0.070 (4)0.006 (3)0.006 (3)0.009 (3)
C470.056 (4)0.082 (5)0.087 (5)0.007 (4)0.005 (4)0.020 (4)
C480.037 (4)0.119 (6)0.081 (5)0.004 (4)0.018 (3)0.031 (5)
C490.065 (4)0.096 (6)0.059 (4)0.017 (4)0.004 (3)0.007 (4)
C500.068 (4)0.054 (4)0.059 (4)0.008 (3)0.003 (3)0.000 (3)
C510.053 (3)0.040 (3)0.048 (3)0.002 (3)0.005 (3)0.004 (2)
C520.048 (3)0.043 (3)0.051 (3)0.005 (3)0.004 (3)0.011 (3)
C530.083 (5)0.082 (5)0.060 (4)0.032 (4)0.003 (4)0.001 (3)
C540.124 (6)0.050 (4)0.079 (5)0.019 (4)0.019 (4)0.016 (3)
C550.053 (4)0.042 (3)0.042 (3)0.002 (3)0.002 (3)0.019 (2)
C560.072 (5)0.071 (4)0.059 (4)0.011 (4)0.003 (3)0.006 (3)
C570.124 (7)0.083 (6)0.069 (5)0.016 (5)0.023 (5)0.005 (4)
C580.176 (9)0.069 (5)0.060 (5)0.002 (6)0.024 (6)0.004 (4)
C590.114 (7)0.099 (6)0.084 (6)0.012 (5)0.038 (5)0.015 (5)
C600.065 (4)0.077 (5)0.064 (4)0.003 (3)0.012 (3)0.013 (3)
C610.057 (4)0.042 (3)0.034 (3)0.007 (3)0.002 (3)0.002 (2)
C620.042 (3)0.038 (3)0.039 (3)0.009 (2)0.004 (2)0.000 (2)
C630.061 (4)0.055 (4)0.046 (3)0.013 (3)0.005 (3)0.004 (3)
C640.060 (4)0.066 (4)0.068 (4)0.020 (3)0.010 (3)0.001 (3)
C650.050 (4)0.060 (4)0.084 (5)0.017 (3)0.011 (3)0.010 (3)
C660.057 (4)0.058 (4)0.047 (3)0.001 (3)0.015 (3)0.009 (3)
C670.045 (3)0.041 (3)0.036 (3)0.004 (2)0.001 (2)0.001 (2)
C680.069 (4)0.053 (4)0.040 (3)0.007 (3)0.008 (3)0.001 (3)
Geometric parameters (Å, º) top
Sn1—O12.071 (3)C31—C321.540 (7)
Sn1—C12.143 (5)C31—H31a0.9700
Sn1—C112.139 (5)C31—H31b0.9700
Sn1—C212.147 (5)C32—C341.533 (7)
Sn2—O32.081 (3)C32—C351.543 (6)
Sn2—C312.138 (5)C32—C331.544 (7)
Sn2—C412.151 (5)C33—H33a0.9600
Sn2—C512.148 (5)C33—H33b0.9600
O1—C611.305 (6)C33—H33c0.9600
O2—C611.202 (6)C34—H34a0.9600
O3—C681.285 (6)C34—H34b0.9600
O4—C681.215 (6)C34—H34c0.9600
C1—C21.550 (7)C35—C361.3900
C1—H1a0.9700C35—C401.3900
C1—H1b0.9700C36—C371.3900
C2—C31.523 (7)C36—H360.9300
C2—C41.538 (7)C37—C381.3900
C2—C51.536 (6)C37—H370.9300
C3—H3a0.9600C38—C391.3900
C3—H3b0.9600C38—H380.9300
C3—H3c0.9600C39—C401.3900
C4—H4a0.9600C39—H390.9300
C4—H4b0.9600C40—H400.9300
C4—H4c0.9600C41—C421.546 (7)
C5—C61.3900C41—H41a0.9700
C5—C101.3900C41—H41b0.9700
C6—C71.3900C42—C441.536 (7)
C6—H60.9300C42—C451.540 (6)
C7—C81.3900C42—C431.543 (7)
C7—H70.9300C43—H43a0.9600
C8—C91.3900C43—H43b0.9600
C8—H80.9300C43—H43c0.9600
C9—C101.3900C44—H44a0.9600
C9—H90.9300C44—H44b0.9600
C10—H100.9300C44—H44c0.9600
C11—C121.547 (6)C45—C461.3900
C11—H11a0.9700C45—C501.3900
C11—H11b0.9700C46—C471.3900
C12—C151.522 (6)C46—H460.9300
C12—C141.534 (7)C47—C481.3900
C12—C131.540 (7)C47—H470.9300
C13—H13a0.9600C48—C491.3900
C13—H13b0.9600C48—H480.9300
C13—H13c0.9600C49—C501.3900
C14—H14a0.9600C49—H490.9300
C14—H14b0.9600C50—H500.9300
C14—H14c0.9600C51—C521.532 (6)
C15—C161.3900C51—H51a0.9700
C15—C201.3900C51—H51b0.9700
C16—C171.3900C52—C551.538 (6)
C16—H160.9300C52—C531.538 (7)
C17—C181.3900C52—C541.550 (7)
C17—H170.9300C53—H53a0.9600
C18—C191.3900C53—H53b0.9600
C18—H180.9300C53—H53c0.9600
C19—C201.3900C54—H54a0.9600
C19—H190.9300C54—H54b0.9600
C20—H200.9300C54—H54c0.9600
C21—C221.544 (7)C55—C561.3900
C21—H21a0.9700C55—C601.3900
C21—H21b0.9700C56—C571.3900
C22—C241.540 (7)C56—H560.9300
C22—C231.543 (7)C57—C581.3900
C22—C251.537 (6)C57—H570.9300
C23—H23a0.9600C58—C591.3900
C23—H23b0.9600C58—H580.9300
C23—H23c0.9600C59—C601.3900
C24—H24a0.9600C59—H590.9300
C24—H24b0.9600C60—H600.9300
C24—H24c0.9600C61—C621.498 (5)
C25—C261.3900C62—C631.3900
C25—C301.3900C62—C671.3900
C26—C271.3900C63—C641.3900
C26—H260.9300C63—H63a0.9300
C27—C281.3900C64—C651.3900
C27—H270.9300C64—H64a0.9300
C28—C291.3900C65—C661.3900
C28—H280.9300C65—H65a0.9300
C29—C301.3900C66—C671.3900
C29—H290.9300C66—H660.9300
C30—H300.9300C67—C681.512 (6)
O1—Sn1—C1106.8 (2)H31a—C31—H31b107.0
O1—Sn1—C11101.1 (2)C34—C32—C31107.8 (5)
O1—Sn1—C2193.4 (2)C34—C32—C35112.2 (5)
C1—Sn1—C11119.4 (2)C31—C32—C35110.4 (4)
C1—Sn1—C21116.7 (2)C34—C32—C33108.5 (5)
C11—Sn1—C21113.9 (2)C31—C32—C33108.9 (4)
O3—Sn2—C31104.1 (2)C35—C32—C33108.9 (4)
O3—Sn2—C41106.3 (2)C32—C33—H33a109.5
O3—Sn2—C5193.7 (2)C32—C33—H33b109.5
C31—Sn2—C41119.4 (2)H33a—C33—H33b109.5
C31—Sn2—C51115.0 (2)C32—C33—H33c109.5
C41—Sn2—C51114.0 (2)H33a—C33—H33c109.5
C61—O1—Sn1116.3 (3)H33b—C33—H33c109.5
C68—O3—Sn2114.1 (3)C32—C34—H34a109.5
C2—C1—Sn1117.7 (3)C32—C34—H34b109.5
C2—C1—H1a107.9H34a—C34—H34b109.5
Sn1—C1—H1a107.9C32—C34—H34c109.5
C2—C1—H1b107.9H34a—C34—H34c109.5
Sn1—C1—H1b107.9H34b—C34—H34c109.5
H1a—C1—H1b107.2C36—C35—C40120.0
C3—C2—C4107.2 (4)C36—C35—C32118.4 (4)
C3—C2—C5113.4 (4)C40—C35—C32121.6 (4)
C4—C2—C5108.7 (4)C35—C36—C37120.0
C3—C2—C1108.5 (4)C35—C36—H36120.0
C4—C2—C1108.3 (4)C37—C36—H36120.0
C5—C2—C1110.6 (4)C38—C37—C36120.0
C2—C3—H3a109.5C38—C37—H37120.0
C2—C3—H3b109.5C36—C37—H37120.0
H3a—C3—H3b109.5C37—C38—C39120.0
C2—C3—H3c109.5C37—C38—H38120.0
H3a—C3—H3c109.5C39—C38—H38120.0
H3b—C3—H3c109.5C40—C39—C38120.0
C2—C4—H4a109.5C40—C39—H39120.0
C2—C4—H4b109.5C38—C39—H39120.0
H4a—C4—H4b109.5C39—C40—C35120.0
C2—C4—H4c109.5C39—C40—H40120.0
H4a—C4—H4c109.5C35—C40—H40120.0
H4b—C4—H4c109.5C42—C41—Sn2117.5 (3)
C6—C5—C10120.0C42—C41—H41a107.9
C6—C5—C2121.5 (3)Sn2—C41—H41a107.9
C10—C5—C2118.5 (3)C42—C41—H41b107.9
C5—C6—C7120.0Sn2—C41—H41b107.9
C5—C6—H6120.0H41a—C41—H41b107.2
C7—C6—H6120.0C44—C42—C45112.7 (4)
C6—C7—C8120.0C44—C42—C43108.6 (4)
C6—C7—H7120.0C45—C42—C43107.7 (4)
C8—C7—H7120.0C44—C42—C41107.7 (4)
C9—C8—C7120.0C45—C42—C41111.1 (4)
C9—C8—H8120.0C43—C42—C41108.9 (4)
C7—C8—H8120.0C42—C43—H43a109.5
C8—C9—C10120.0C42—C43—H43b109.5
C8—C9—H9120.0H43a—C43—H43b109.5
C10—C9—H9120.0C42—C43—H43c109.5
C9—C10—C5120.0H43a—C43—H43c109.5
C9—C10—H10120.0H43b—C43—H43c109.5
C5—C10—H10120.0C42—C44—H44a109.5
C12—C11—Sn1118.4 (3)C42—C44—H44b109.5
C12—C11—H11a107.7H44a—C44—H44b109.5
Sn1—C11—H11a107.7C42—C44—H44c109.5
C12—C11—H11b107.7H44a—C44—H44c109.5
Sn1—C11—H11b107.7H44b—C44—H44c109.5
H11a—C11—H11b107.1C46—C45—C50120.0
C15—C12—C14113.2 (4)C46—C45—C42121.1 (3)
C15—C12—C13107.8 (4)C50—C45—C42118.9 (3)
C14—C12—C13107.3 (4)C47—C46—C45120.0
C15—C12—C11111.3 (4)C47—C46—H46120.0
C14—C12—C11109.6 (4)C45—C46—H46120.0
C13—C12—C11107.4 (4)C46—C47—C48120.0
C12—C13—H13a109.5C46—C47—H47120.0
C12—C13—H13b109.5C48—C47—H47120.0
H13a—C13—H13b109.5C47—C48—C49120.0
C12—C13—H13c109.5C47—C48—H48120.0
H13a—C13—H13c109.5C49—C48—H48120.0
H13b—C13—H13c109.5C48—C49—C50120.0
C12—C14—H14a109.5C48—C49—H49120.0
C12—C14—H14b109.5C50—C49—H49120.0
H14a—C14—H14b109.5C49—C50—C45120.0
C12—C14—H14c109.5C49—C50—H50120.0
H14a—C14—H14c109.5C45—C50—H50120.0
H14b—C14—H14c109.5C52—C51—Sn2121.3 (3)
C16—C15—C20120.0C52—C51—H51a107.0
C16—C15—C12117.9 (4)Sn2—C51—H51a107.0
C20—C15—C12122.1 (4)C52—C51—H51b107.0
C15—C16—C17120.0Sn2—C51—H51b107.0
C15—C16—H16120.0H51a—C51—H51b106.8
C17—C16—H16120.0C51—C52—C55111.7 (4)
C18—C17—C16120.0C51—C52—C53109.4 (4)
C18—C17—H17120.0C55—C52—C53112.3 (4)
C16—C17—H17120.0C51—C52—C54107.9 (4)
C17—C18—C19120.0C55—C52—C54107.3 (4)
C17—C18—H18120.0C53—C52—C54108.1 (5)
C19—C18—H18120.0C52—C53—H53a109.5
C20—C19—C18120.0C52—C53—H53b109.5
C20—C19—H19120.0H53a—C53—H53b109.5
C18—C19—H19120.0C52—C53—H53c109.5
C19—C20—C15120.0H53a—C53—H53c109.5
C19—C20—H20120.0H53b—C53—H53c109.5
C15—C20—H20120.0C52—C54—H54a109.5
C22—C21—Sn1121.3 (4)C52—C54—H54b109.5
C22—C21—H21a107.0H54a—C54—H54b109.5
Sn1—C21—H21a107.0C52—C54—H54c109.5
C22—C21—H21b107.0H54a—C54—H54c109.5
Sn1—C21—H21b107.0H54b—C54—H54c109.5
H21a—C21—H21b106.8C56—C55—C60120.0
C24—C22—C23107.7 (5)C56—C55—C52119.2 (3)
C24—C22—C25112.7 (5)C60—C55—C52120.8 (3)
C23—C22—C25108.4 (4)C57—C56—C55120.0
C24—C22—C21108.8 (4)C57—C56—H56120.0
C23—C22—C21107.5 (5)C55—C56—H56120.0
C25—C22—C21111.5 (4)C56—C57—C58120.0
C22—C23—H23a109.5C56—C57—H57120.0
C22—C23—H23b109.5C58—C57—H57120.0
H23a—C23—H23b109.5C59—C58—C57120.0
C22—C23—H23c109.5C59—C58—H58120.0
H23a—C23—H23c109.5C57—C58—H58120.0
H23b—C23—H23c109.5C58—C59—C60120.0
C22—C24—H24a109.5C58—C59—H59120.0
C22—C24—H24b109.5C60—C59—H59120.0
H24a—C24—H24b109.5C59—C60—C55120.0
C22—C24—H24c109.5C59—C60—H60120.0
H24a—C24—H24c109.5C55—C60—H60120.0
H24b—C24—H24c109.5O2—C61—O1123.6 (5)
C26—C25—C30120.0O2—C61—C62122.6 (5)
C26—C25—C22117.9 (3)O1—C61—C62113.8 (5)
C30—C25—C22122.0 (3)C63—C62—C67120.0
C25—C26—C27120.0C63—C62—C61118.6 (3)
C25—C26—H26120.0C67—C62—C61121.2 (3)
C27—C26—H26120.0C64—C63—C62120.0
C28—C27—C26120.0C64—C63—H63a120.0
C28—C27—H27120.0C62—C63—H63a120.0
C26—C27—H27120.0C65—C64—C63120.0
C27—C28—C29120.0C65—C64—H64a120.0
C27—C28—H28120.0C63—C64—H64a120.0
C29—C28—H28120.0C66—C65—C64120.0
C30—C29—C28120.0C66—C65—H65a120.0
C30—C29—H29120.0C64—C65—H65a120.0
C28—C29—H29120.0C65—C66—C67120.0
C29—C30—C25120.0C65—C66—H66120.0
C29—C30—H30120.0C67—C66—H66120.0
C25—C30—H30120.0C66—C67—C62120.0
C32—C31—Sn2119.1 (3)C66—C67—C68117.3 (3)
C32—C31—H31a107.5C62—C67—C68121.8 (3)
Sn2—C31—H31a107.5O4—C68—O3124.2 (5)
C32—C31—H31b107.5O4—C68—C67120.5 (5)
Sn2—C31—H31b107.5O3—C68—C67115.1 (5)
C11—Sn1—O1—C6155.4 (4)Sn2—C31—C32—C3551.9 (5)
C1—Sn1—O1—C6170.2 (4)Sn2—C31—C32—C33171.4 (4)
C21—Sn1—O1—C61170.6 (4)C34—C32—C35—C36169.8 (3)
C31—Sn2—O3—C6870.8 (4)C33—C32—C35—C3670.0 (5)
C51—Sn2—O3—C68172.3 (4)C34—C32—C35—C4012.4 (5)
C41—Sn2—O3—C6856.1 (4)C31—C32—C35—C40132.7 (4)
O1—Sn1—C1—C2126.8 (4)C33—C32—C35—C40107.8 (4)
C11—Sn1—C1—C213.1 (5)C32—C35—C36—C37177.8 (4)
C21—Sn1—C1—C2130.4 (4)C32—C35—C40—C39177.7 (4)
Sn1—C1—C2—C371.2 (5)O3—Sn2—C41—C4282.9 (4)
Sn1—C1—C2—C4172.7 (4)C31—Sn2—C41—C42160.1 (4)
Sn1—C1—C2—C553.7 (5)C51—Sn2—C41—C4218.9 (5)
C3—C2—C5—C65.1 (5)Sn2—C41—C42—C4466.7 (5)
C4—C2—C5—C6114.1 (4)Sn2—C41—C42—C4557.2 (5)
C1—C2—C5—C6127.2 (3)Sn2—C41—C42—C43175.7 (4)
C3—C2—C5—C10174.4 (3)C44—C42—C45—C4614.8 (5)
C4—C2—C5—C1066.5 (5)C43—C42—C45—C46105.0 (4)
C1—C2—C5—C1052.3 (4)C41—C42—C45—C46135.8 (3)
C2—C5—C6—C7179.4 (4)C44—C42—C45—C50162.1 (3)
C2—C5—C10—C9179.5 (3)C43—C42—C45—C5078.1 (4)
O1—Sn1—C11—C1278.7 (4)C41—C42—C45—C5041.1 (5)
C1—Sn1—C11—C12164.6 (3)C42—C45—C46—C47176.9 (4)
C21—Sn1—C11—C1220.1 (4)C42—C45—C50—C49176.9 (3)
Sn1—C11—C12—C1566.9 (5)O3—Sn2—C51—C5283.6 (4)
Sn1—C11—C12—C1459.1 (5)C31—Sn2—C51—C5223.8 (5)
Sn1—C11—C12—C13175.3 (3)C41—Sn2—C51—C52166.8 (4)
C14—C12—C15—C16179.5 (3)Sn2—C51—C52—C5572.1 (5)
C13—C12—C15—C1660.9 (5)Sn2—C51—C52—C5352.9 (6)
C11—C12—C15—C1656.6 (5)Sn2—C51—C52—C54170.3 (4)
C14—C12—C15—C200.6 (6)C51—C52—C55—C5653.1 (5)
C13—C12—C15—C20117.9 (4)C51—C52—C55—C60128.2 (4)
C11—C12—C15—C20124.6 (4)C53—C52—C55—C604.8 (5)
C12—C15—C16—C17178.9 (4)C54—C52—C55—C60113.8 (4)
C12—C15—C20—C19178.8 (4)C52—C55—C56—C57178.7 (4)
O1—Sn1—C21—C2290.2 (4)C52—C55—C60—C59178.7 (4)
C11—Sn1—C21—C22166.1 (4)Sn1—O1—C61—O214.2 (7)
C1—Sn1—C21—C2220.6 (5)Sn1—O1—C61—C62166.5 (3)
Sn1—C21—C22—C2451.3 (6)O2—C61—C62—C63139.7 (5)
Sn1—C21—C22—C23167.7 (4)O1—C61—C62—C6339.6 (5)
Sn1—C21—C22—C2573.6 (5)O2—C61—C62—C6734.2 (6)
C24—C22—C25—C26176.6 (4)O1—C61—C62—C67146.6 (3)
C23—C22—C25—C2664.3 (5)C61—C62—C63—C64173.9 (4)
C21—C22—C25—C2653.9 (5)C65—C66—C67—C68169.5 (4)
C24—C22—C25—C306.2 (6)C61—C62—C67—C66173.8 (4)
C23—C22—C25—C30112.9 (4)C63—C62—C67—C68169.0 (4)
C21—C22—C25—C30128.9 (4)C61—C62—C67—C6817.2 (5)
C22—C25—C26—C27177.3 (4)Sn2—O3—C68—O41.1 (7)
C22—C25—C30—C29177.1 (4)Sn2—O3—C68—C67175.7 (3)
O3—Sn2—C31—C32126.5 (4)C66—C67—C68—O4125.8 (5)
C51—Sn2—C31—C32132.5 (4)C62—C67—C68—O443.5 (6)
C41—Sn2—C31—C328.4 (5)C66—C67—C68—O351.1 (5)
Sn2—C31—C32—C3471.1 (6)C62—C67—C68—O3139.6 (4)
 

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