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The structure of the title compound, [Sn(C6H5)3(C14H9O3)(C18H15OP)], consists of discrete mol­ecules, in which the monodentate C6H5COC6H4COO anion and OPPh3 are coordinated to an SnPh3 group, and the tin center is in a trigonal–bipyramidal environment. The axial and equatorial positions of the trigonal bipyramid are occupied by the two O atoms of OPPh3 and RCOO and three ipso C atoms of the three phenyl rings, respectively.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680604726X/hk2118sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680604726X/hk2118Isup2.hkl
Contains datablock I

CCDC reference: 629918

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.036
  • wR factor = 0.074
  • Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.21 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT432_ALERT_2_C Short Inter X...Y Contact O3 .. C33 .. 2.98 Ang.
Alert level G CHEMS02_ALERT_1_G Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI or EI for inorganic; FM or CM or EM for metal-organic; FO or CO or EO for organic. From the CIF: _publ_requested_category FI From the CIF: _chemical_formula_sum:C50 H39 O4 P1 Sn1 REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 30.05 From the CIF: _reflns_number_total 5944 Count of symmetry unique reflns 5959 Completeness (_total/calc) 99.75% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 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 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL018_ALERT_1_A The author field is longer than 65 characters. Please check that the author/address loop has been completed according to the CIF specification. Author = Senegal, Facult\'e des Sciences et Techniques Universit\'e Cheikh Anta Diop Dakar PUBL019_ALERT_1_A The author field is longer than 8 words. Please check that the author/address loop has been completed according to the CIF specification. Author = Senegal, Facult\'e des Sciences et Techniques Universit\'e Cheikh Anta Diop Dakar
2 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

(2-Benzoylbenzoato-κO)triphenyl(triphenylphosphine oxide-κO)tin(IV) top
Crystal data top
[Sn(C6H5)3(C14H9O3)(C18H15OP)]F(000) = 1744
Mr = 853.47Dx = 1.393 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 5808 reflections
a = 13.5072 (10) Åθ = 1.0–30.0°
b = 14.7298 (10) ŵ = 0.71 mm1
c = 20.481 (2) ÅT = 173 K
β = 93.22 (5)°Prism, colorless
V = 4068.4 (6) Å30.13 × 0.10 × 0.08 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
4977 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.036
Graphite monochromatorθmax = 30.1°, θmin = 2.8°
ω scansh = 1818
10419 measured reflectionsk = 1820
5944 independent reflectionsl = 2828
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.036 w = 1/[σ2(Fo2) + (0.0296P)2 + 1.3481P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.074(Δ/σ)max = 0.003
S = 1.04Δρmax = 1.48 e Å3
5944 reflectionsΔρmin = 0.81 e Å3
506 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
2 restraintsExtinction coefficient: 0.00064 (13)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983) with 5949 Friedel pairs
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.083 (17)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.866772 (15)0.683394 (15)0.031379 (13)0.02100 (7)
P10.98476 (8)0.78630 (8)0.11291 (5)0.0245 (2)
O10.9156 (2)0.7288 (2)0.07479 (13)0.0266 (6)
O20.8345 (2)0.6450 (2)0.13013 (12)0.0255 (6)
O30.7894 (3)0.5055 (3)0.09896 (16)0.0459 (11)
O40.8645 (2)0.7499 (2)0.26571 (16)0.0396 (8)
C10.9709 (3)0.5780 (3)0.01831 (18)0.0250 (8)
C20.9723 (4)0.5307 (3)0.0401 (2)0.0326 (11)
H20.92710.54650.07550.039*
C31.0398 (4)0.4599 (4)0.0474 (2)0.0421 (12)
H31.03990.42730.08740.051*
C41.1063 (4)0.4372 (3)0.0038 (2)0.0417 (12)
H41.15240.38930.00090.050*
C51.1052 (4)0.4847 (4)0.0616 (2)0.0439 (12)
H51.15080.46900.09690.053*
C61.0386 (3)0.5549 (3)0.0692 (2)0.0355 (11)
H61.03920.58740.10930.043*
C70.7179 (3)0.6853 (3)0.00805 (19)0.0224 (8)
C80.6400 (4)0.6657 (4)0.0309 (3)0.0515 (16)
H80.65400.64760.07500.062*
C90.5421 (4)0.6720 (5)0.0071 (3)0.067 (2)
H90.49030.65790.03500.080*
C100.5190 (4)0.6983 (4)0.0562 (3)0.0501 (14)
H100.45190.70160.07260.060*
C110.5955 (3)0.7199 (4)0.0958 (2)0.0398 (11)
H110.58080.73890.13960.048*
C120.6933 (3)0.7140 (3)0.07173 (19)0.0315 (10)
H120.74490.72980.09930.038*
C130.9125 (3)0.8114 (3)0.07182 (18)0.0209 (8)
C140.8425 (3)0.8644 (3)0.1018 (2)0.0362 (11)
H140.77630.84320.10370.043*
C150.8690 (5)0.9479 (4)0.1288 (3)0.0517 (16)
H150.82150.98250.15060.062*
C160.9632 (4)0.9808 (4)0.1244 (3)0.0494 (13)
H160.97971.03960.14070.059*
C171.0337 (4)0.9289 (4)0.0965 (2)0.0371 (11)
H171.09970.95080.09460.045*
C181.0084 (3)0.8446 (3)0.07102 (19)0.0294 (9)
H181.05790.80850.05250.035*
C190.9316 (3)0.8971 (3)0.12844 (19)0.0290 (9)
C200.8566 (4)0.9255 (4)0.0899 (2)0.0394 (13)
H200.83650.88860.05500.047*
C210.8108 (4)1.0090 (4)0.1027 (3)0.0447 (12)
H210.75801.02810.07720.054*
C220.8416 (4)1.0636 (3)0.1516 (2)0.0422 (11)
H220.81071.12080.15940.051*
C230.9168 (4)1.0364 (4)0.1896 (2)0.0430 (12)
H230.93791.07480.22340.052*
C240.9619 (4)0.9527 (3)0.1785 (2)0.0375 (11)
H241.01340.93350.20500.045*
C251.0065 (3)0.7403 (3)0.19235 (19)0.0276 (9)
C260.9294 (4)0.6996 (3)0.2290 (2)0.0353 (11)
H260.86740.69040.21030.042*
C270.9420 (4)0.6722 (4)0.2924 (2)0.0442 (13)
H270.88930.64320.31700.053*
C281.0319 (4)0.6874 (4)0.3199 (2)0.0487 (14)
H281.04000.67050.36400.058*
C291.1091 (4)0.7265 (5)0.2842 (2)0.0539 (15)
H291.17070.73590.30340.065*
C301.0978 (3)0.7526 (5)0.2201 (3)0.0425 (13)
H301.15190.77870.19510.051*
C311.1053 (3)0.7988 (3)0.07111 (19)0.0291 (10)
C321.1422 (3)0.8831 (3)0.05263 (19)0.0354 (11)
H321.10670.93680.06460.042*
C331.2330 (4)0.8881 (4)0.0159 (2)0.0451 (14)
H331.26000.94560.00380.054*
C341.2825 (4)0.8110 (4)0.0026 (2)0.0486 (15)
H341.34290.81530.02840.058*
C351.2462 (4)0.7273 (5)0.0156 (3)0.0513 (14)
H351.28200.67400.00290.062*
C361.1564 (3)0.7204 (4)0.0528 (2)0.0381 (11)
H361.13070.66260.06530.046*
C370.8059 (3)0.5634 (3)0.14142 (18)0.0270 (9)
C380.7875 (3)0.5416 (3)0.21142 (18)0.0241 (8)
C390.7282 (3)0.4676 (3)0.2239 (2)0.0319 (10)
H390.70020.43290.18840.038*
C400.7089 (4)0.4432 (3)0.2875 (3)0.0352 (12)
H400.66760.39260.29540.042*
C410.7501 (4)0.4930 (3)0.3388 (2)0.0360 (11)
H410.73890.47570.38250.043*
C420.8078 (3)0.5680 (3)0.32714 (19)0.0322 (10)
H420.83410.60300.36300.039*
C430.8281 (3)0.5933 (3)0.26371 (18)0.0241 (8)
C440.8944 (3)0.6739 (3)0.25539 (18)0.0255 (9)
C451.0002 (3)0.6557 (3)0.24193 (18)0.0263 (9)
C461.0436 (4)0.5715 (4)0.2547 (2)0.0368 (12)
H461.00470.52250.26930.044*
C471.1440 (4)0.5593 (4)0.2461 (2)0.0441 (12)
H471.17390.50190.25480.053*
C481.2004 (4)0.6303 (4)0.2248 (3)0.0490 (14)
H481.26940.62190.22030.059*
C491.1579 (4)0.7131 (4)0.2102 (3)0.0459 (13)
H491.19650.76080.19360.055*
C501.0583 (4)0.7263 (3)0.2197 (2)0.0347 (10)
H501.02920.78410.21090.042*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.02100 (11)0.02110 (11)0.02090 (11)0.00065 (16)0.00109 (7)0.00069 (14)
P10.0250 (5)0.0256 (5)0.0235 (5)0.0023 (5)0.0064 (4)0.0004 (4)
O10.0274 (16)0.0257 (17)0.0275 (14)0.0000 (13)0.0071 (11)0.0036 (12)
O20.0321 (16)0.0258 (16)0.0186 (13)0.0021 (13)0.0017 (11)0.0028 (11)
O30.077 (3)0.035 (2)0.0265 (17)0.022 (2)0.0085 (17)0.0089 (15)
O40.0441 (19)0.0261 (18)0.0493 (18)0.0010 (15)0.0096 (15)0.0112 (14)
C10.026 (2)0.021 (2)0.028 (2)0.0016 (17)0.0015 (15)0.0018 (16)
C20.040 (3)0.026 (3)0.031 (2)0.007 (2)0.0029 (19)0.0011 (18)
C30.052 (3)0.035 (3)0.040 (3)0.010 (2)0.007 (2)0.008 (2)
C40.045 (3)0.033 (3)0.048 (3)0.016 (2)0.012 (2)0.001 (2)
C50.044 (3)0.049 (3)0.037 (3)0.020 (3)0.004 (2)0.003 (2)
C60.040 (3)0.042 (3)0.024 (2)0.016 (2)0.0004 (17)0.0006 (18)
C70.0179 (18)0.023 (2)0.0261 (19)0.0004 (17)0.0015 (14)0.0018 (15)
C80.023 (2)0.084 (5)0.048 (3)0.001 (3)0.003 (2)0.031 (3)
C90.025 (3)0.101 (6)0.074 (4)0.006 (3)0.003 (2)0.039 (4)
C100.023 (2)0.067 (4)0.058 (3)0.000 (2)0.011 (2)0.006 (3)
C110.033 (3)0.053 (3)0.033 (3)0.010 (2)0.0066 (19)0.012 (2)
C120.023 (2)0.049 (3)0.022 (2)0.008 (2)0.0019 (15)0.0054 (18)
C130.0210 (19)0.022 (2)0.0193 (17)0.0020 (16)0.0020 (13)0.0005 (15)
C140.031 (3)0.030 (3)0.048 (3)0.001 (2)0.0046 (19)0.008 (2)
C150.045 (3)0.034 (3)0.078 (4)0.004 (3)0.012 (3)0.024 (3)
C160.059 (3)0.033 (3)0.055 (3)0.013 (3)0.003 (3)0.011 (2)
C170.038 (3)0.043 (3)0.030 (2)0.015 (2)0.0009 (18)0.002 (2)
C180.027 (2)0.041 (3)0.0208 (19)0.0066 (19)0.0063 (15)0.0012 (17)
C190.034 (2)0.026 (2)0.028 (2)0.0008 (18)0.0072 (17)0.0015 (16)
C200.046 (3)0.033 (3)0.041 (3)0.004 (2)0.017 (2)0.008 (2)
C210.053 (3)0.028 (3)0.054 (3)0.010 (2)0.016 (2)0.004 (2)
C220.050 (3)0.023 (2)0.053 (3)0.002 (2)0.003 (2)0.009 (2)
C230.058 (3)0.033 (3)0.039 (3)0.009 (2)0.006 (2)0.011 (2)
C240.046 (3)0.033 (3)0.034 (2)0.006 (2)0.0127 (19)0.0039 (19)
C250.032 (2)0.027 (2)0.025 (2)0.0025 (19)0.0066 (16)0.0025 (16)
C260.033 (2)0.044 (3)0.029 (2)0.007 (2)0.0037 (17)0.0025 (19)
C270.049 (3)0.047 (3)0.035 (3)0.008 (3)0.001 (2)0.012 (2)
C280.062 (4)0.055 (4)0.030 (2)0.005 (3)0.012 (2)0.015 (2)
C290.040 (3)0.085 (5)0.038 (3)0.009 (3)0.017 (2)0.017 (3)
C300.035 (3)0.059 (3)0.034 (2)0.006 (3)0.011 (2)0.011 (2)
C310.024 (2)0.041 (3)0.023 (2)0.0069 (19)0.0062 (15)0.0061 (17)
C320.041 (3)0.042 (3)0.024 (2)0.014 (2)0.0066 (18)0.0050 (18)
C330.047 (3)0.064 (4)0.024 (2)0.024 (3)0.002 (2)0.012 (2)
C340.028 (3)0.082 (5)0.035 (3)0.010 (3)0.0050 (19)0.009 (3)
C350.030 (3)0.071 (4)0.052 (3)0.007 (3)0.005 (2)0.007 (3)
C360.028 (2)0.045 (3)0.041 (3)0.000 (2)0.0002 (19)0.012 (2)
C370.030 (2)0.027 (2)0.024 (2)0.0050 (19)0.0026 (16)0.0010 (17)
C380.026 (2)0.024 (2)0.0233 (19)0.0032 (17)0.0035 (15)0.0046 (15)
C390.033 (2)0.032 (3)0.030 (2)0.002 (2)0.0018 (17)0.0020 (18)
C400.029 (3)0.028 (3)0.049 (3)0.004 (2)0.010 (2)0.010 (2)
C410.045 (3)0.035 (3)0.029 (2)0.008 (2)0.0143 (19)0.0087 (18)
C420.042 (3)0.031 (2)0.024 (2)0.001 (2)0.0060 (17)0.0032 (17)
C430.029 (2)0.024 (2)0.0201 (18)0.0039 (18)0.0037 (14)0.0030 (15)
C440.034 (2)0.027 (2)0.0158 (18)0.0008 (18)0.0007 (15)0.0025 (15)
C450.030 (2)0.030 (2)0.0181 (18)0.0042 (18)0.0013 (15)0.0060 (15)
C460.036 (3)0.037 (3)0.037 (3)0.000 (2)0.004 (2)0.002 (2)
C470.040 (3)0.045 (3)0.046 (3)0.012 (3)0.008 (2)0.001 (2)
C480.031 (3)0.065 (4)0.052 (3)0.002 (3)0.001 (2)0.013 (3)
C490.036 (3)0.050 (4)0.052 (3)0.012 (3)0.006 (2)0.011 (2)
C500.039 (3)0.031 (3)0.034 (2)0.006 (2)0.0026 (18)0.0056 (19)
Geometric parameters (Å, º) top
Sn1—C12.122 (4)C22—C231.372 (7)
Sn1—C72.124 (4)C22—H220.9500
Sn1—C132.137 (4)C23—C241.388 (7)
Sn1—O22.168 (2)C23—H230.9500
Sn1—O12.402 (3)C24—H240.9500
P1—O11.511 (3)C25—C261.385 (6)
P1—C251.802 (4)C25—C301.399 (6)
P1—C191.804 (4)C26—C271.380 (7)
P1—C311.806 (4)C26—H260.9500
O2—C371.288 (5)C27—C281.386 (8)
O3—C371.229 (5)C27—H270.9500
O4—C441.213 (5)C28—C291.366 (8)
C1—C21.386 (6)C28—H280.9500
C1—C61.389 (6)C29—C301.383 (7)
C2—C31.398 (7)C29—H290.9500
C2—H20.9500C30—H300.9500
C3—C41.383 (7)C31—C321.383 (6)
C3—H30.9500C31—C361.386 (7)
C4—C51.376 (7)C32—C331.404 (7)
C4—H40.9500C32—H320.9500
C5—C61.386 (7)C33—C341.360 (8)
C5—H50.9500C33—H330.9500
C6—H60.9500C34—C351.370 (8)
C7—C81.386 (6)C34—H340.9500
C7—C121.393 (6)C35—C361.399 (7)
C8—C91.387 (7)C35—H350.9500
C8—H80.9500C36—H360.9500
C9—C101.372 (8)C37—C381.503 (5)
C9—H90.9500C38—C391.386 (6)
C10—C111.386 (8)C38—C431.400 (6)
C10—H100.9500C39—C401.389 (6)
C11—C121.388 (6)C39—H390.9500
C11—H110.9500C40—C411.373 (7)
C12—H120.9500C40—H400.9500
C13—C181.385 (6)C41—C421.380 (6)
C13—C141.395 (6)C41—H410.9500
C14—C151.388 (7)C42—C431.393 (5)
C14—H140.9500C42—H420.9500
C15—C161.369 (8)C43—C441.503 (6)
C15—H150.9500C44—C451.494 (6)
C16—C171.371 (8)C45—C461.390 (7)
C16—H160.9500C45—C501.395 (6)
C17—C181.383 (7)C46—C471.390 (7)
C17—H170.9500C46—H460.9500
C18—H180.9500C47—C481.378 (8)
C19—C201.384 (6)C47—H470.9500
C19—C241.391 (6)C48—C491.373 (9)
C20—C211.394 (7)C48—H480.9500
C20—H200.9500C49—C501.384 (7)
C21—C221.368 (7)C49—H490.9500
C21—H210.9500C50—H500.9500
C1—Sn1—C7125.57 (16)C22—C23—C24119.9 (4)
C1—Sn1—C13120.99 (15)C22—C23—H23120.1
C7—Sn1—C13112.51 (15)C24—C23—H23120.1
C1—Sn1—O295.53 (14)C23—C24—C19120.0 (4)
C7—Sn1—O297.05 (14)C23—C24—H24120.0
C13—Sn1—O286.40 (13)C19—C24—H24120.0
C1—Sn1—O182.65 (13)C26—C25—C30119.2 (4)
C7—Sn1—O187.38 (13)C26—C25—P1119.8 (3)
C13—Sn1—O190.97 (12)C30—C25—P1120.7 (4)
O2—Sn1—O1175.46 (11)C27—C26—C25120.5 (4)
O1—P1—C25113.13 (19)C27—C26—H26119.7
O1—P1—C19110.27 (18)C25—C26—H26119.7
C25—P1—C19105.33 (19)C26—C27—C28119.5 (5)
O1—P1—C31112.29 (18)C26—C27—H27120.2
C25—P1—C31106.16 (19)C28—C27—H27120.2
C19—P1—C31109.3 (2)C29—C28—C27120.7 (4)
P1—O1—Sn1146.43 (18)C29—C28—H28119.7
C37—O2—Sn1119.3 (2)C27—C28—H28119.7
C2—C1—C6119.0 (4)C28—C29—C30120.2 (5)
C2—C1—Sn1121.2 (3)C28—C29—H29119.9
C6—C1—Sn1119.8 (3)C30—C29—H29119.9
C1—C2—C3120.5 (4)C29—C30—C25119.8 (5)
C1—C2—H2119.7C29—C30—H30120.1
C3—C2—H2119.7C25—C30—H30120.1
C4—C3—C2119.9 (4)C32—C31—C36120.5 (4)
C4—C3—H3120.1C32—C31—P1121.5 (4)
C2—C3—H3120.1C36—C31—P1117.8 (3)
C5—C4—C3119.5 (4)C31—C32—C33119.0 (5)
C5—C4—H4120.2C31—C32—H32120.5
C3—C4—H4120.2C33—C32—H32120.5
C4—C5—C6120.9 (4)C34—C33—C32120.4 (5)
C4—C5—H5119.6C34—C33—H33119.8
C6—C5—H5119.6C32—C33—H33119.8
C5—C6—C1120.2 (4)C33—C34—C35120.9 (5)
C5—C6—H6119.9C33—C34—H34119.6
C1—C6—H6119.9C35—C34—H34119.6
C8—C7—C12117.0 (4)C34—C35—C36119.9 (5)
C8—C7—Sn1120.8 (3)C34—C35—H35120.1
C12—C7—Sn1122.0 (3)C36—C35—H35120.1
C7—C8—C9121.6 (5)C31—C36—C35119.4 (5)
C7—C8—H8119.2C31—C36—H36120.3
C9—C8—H8119.2C35—C36—H36120.3
C10—C9—C8120.8 (5)O3—C37—O2124.4 (4)
C10—C9—H9119.6O3—C37—C38119.6 (4)
C8—C9—H9119.6O2—C37—C38115.9 (3)
C9—C10—C11118.8 (5)C39—C38—C43119.5 (4)
C9—C10—H10120.6C39—C38—C37118.2 (4)
C11—C10—H10120.6C43—C38—C37122.4 (4)
C10—C11—C12120.2 (4)C38—C39—C40121.2 (4)
C10—C11—H11119.9C38—C39—H39119.4
C12—C11—H11119.9C40—C39—H39119.4
C11—C12—C7121.6 (4)C41—C40—C39119.4 (4)
C11—C12—H12119.2C41—C40—H40120.3
C7—C12—H12119.2C39—C40—H40120.3
C18—C13—C14117.7 (4)C40—C41—C42120.2 (4)
C18—C13—Sn1123.9 (3)C40—C41—H41119.9
C14—C13—Sn1118.4 (3)C42—C41—H41119.9
C15—C14—C13120.4 (4)C41—C42—C43121.2 (4)
C15—C14—H14119.8C41—C42—H42119.4
C13—C14—H14119.8C43—C42—H42119.4
C16—C15—C14120.5 (5)C42—C43—C38118.6 (4)
C16—C15—H15119.8C42—C43—C44117.8 (3)
C14—C15—H15119.8C38—C43—C44123.6 (3)
C15—C16—C17120.0 (5)O4—C44—C45122.0 (4)
C15—C16—H16120.0O4—C44—C43120.2 (4)
C17—C16—H16120.0C45—C44—C43117.5 (4)
C16—C17—C18119.7 (4)C46—C45—C50119.2 (4)
C16—C17—H17120.2C46—C45—C44121.5 (4)
C18—C17—H17120.2C50—C45—C44119.2 (4)
C17—C18—C13121.7 (4)C45—C46—C47119.7 (5)
C17—C18—H18119.2C45—C46—H46120.1
C13—C18—H18119.2C47—C46—H46120.1
C20—C19—C24119.8 (4)C48—C47—C46120.2 (5)
C20—C19—P1118.1 (3)C48—C47—H47119.9
C24—C19—P1122.1 (3)C46—C47—H47119.9
C19—C20—C21119.4 (5)C49—C48—C47120.7 (5)
C19—C20—H20120.3C49—C48—H48119.6
C21—C20—H20120.3C47—C48—H48119.6
C22—C21—C20120.4 (5)C48—C49—C50119.5 (5)
C22—C21—H21119.8C48—C49—H49120.2
C20—C21—H21119.8C50—C49—H49120.2
C21—C22—C23120.6 (5)C49—C50—C45120.7 (5)
C21—C22—H22119.7C49—C50—H50119.7
C23—C22—H22119.7C45—C50—H50119.7
C25—P1—O1—Sn1152.8 (3)C20—C21—C22—C231.1 (8)
C19—P1—O1—Sn189.6 (3)C21—C22—C23—C240.2 (8)
C31—P1—O1—Sn132.6 (4)C22—C23—C24—C190.7 (8)
C1—Sn1—O1—P191.8 (3)C20—C19—C24—C230.1 (7)
C7—Sn1—O1—P1141.8 (3)P1—C19—C24—C23178.2 (4)
C13—Sn1—O1—P129.3 (3)O1—P1—C25—C2638.4 (4)
C1—Sn1—O2—C3754.9 (3)C19—P1—C25—C2682.2 (4)
C7—Sn1—O2—C3772.0 (3)C31—P1—C25—C26161.9 (4)
C13—Sn1—O2—C37175.7 (3)O1—P1—C25—C30147.6 (4)
C7—Sn1—C1—C235.8 (4)C19—P1—C25—C3091.9 (5)
C13—Sn1—C1—C2132.4 (4)C31—P1—C25—C3024.0 (5)
O2—Sn1—C1—C2138.5 (4)C30—C25—C26—C270.7 (8)
O1—Sn1—C1—C245.7 (4)P1—C25—C26—C27173.4 (4)
C7—Sn1—C1—C6143.6 (3)C25—C26—C27—C281.3 (8)
C13—Sn1—C1—C648.3 (4)C26—C27—C28—C292.1 (9)
O2—Sn1—C1—C640.8 (4)C27—C28—C29—C300.8 (10)
O1—Sn1—C1—C6135.0 (4)C28—C29—C30—C251.2 (10)
C6—C1—C2—C31.0 (7)C26—C25—C30—C292.0 (9)
Sn1—C1—C2—C3178.3 (4)P1—C25—C30—C29172.1 (5)
C1—C2—C3—C40.6 (8)O1—P1—C31—C32119.4 (3)
C2—C3—C4—C50.2 (8)C25—P1—C31—C32116.5 (3)
C3—C4—C5—C60.2 (8)C19—P1—C31—C323.3 (4)
C4—C5—C6—C10.6 (8)O1—P1—C31—C3654.9 (4)
C2—C1—C6—C51.0 (7)C25—P1—C31—C3669.2 (4)
Sn1—C1—C6—C5178.3 (4)C19—P1—C31—C36177.7 (3)
C1—Sn1—C7—C8102.7 (4)C36—C31—C32—C330.9 (6)
C13—Sn1—C7—C888.3 (4)P1—C31—C32—C33175.2 (3)
O2—Sn1—C7—C80.7 (4)C31—C32—C33—C341.6 (7)
O1—Sn1—C7—C8178.3 (4)C32—C33—C34—C351.6 (8)
C1—Sn1—C7—C1283.3 (4)C33—C34—C35—C361.0 (8)
C13—Sn1—C7—C1285.7 (4)C32—C31—C36—C350.3 (7)
O2—Sn1—C7—C12174.7 (4)P1—C31—C36—C35174.7 (4)
O1—Sn1—C7—C124.3 (4)C34—C35—C36—C310.3 (8)
C12—C7—C8—C91.7 (9)Sn1—O2—C37—O34.6 (6)
Sn1—C7—C8—C9176.0 (5)Sn1—O2—C37—C38178.5 (3)
C7—C8—C9—C100.2 (11)O3—C37—C38—C3917.2 (6)
C8—C9—C10—C111.0 (10)O2—C37—C38—C39159.8 (4)
C9—C10—C11—C120.7 (9)O3—C37—C38—C43162.7 (4)
C10—C11—C12—C70.8 (8)O2—C37—C38—C4320.2 (6)
C8—C7—C12—C112.0 (7)C43—C38—C39—C400.6 (7)
Sn1—C7—C12—C11176.2 (4)C37—C38—C39—C40179.4 (4)
C1—Sn1—C13—C1822.6 (4)C38—C39—C40—C410.6 (7)
C7—Sn1—C13—C18146.9 (3)C39—C40—C41—C421.9 (7)
O2—Sn1—C13—C18116.9 (3)C40—C41—C42—C432.0 (7)
O1—Sn1—C13—C1859.4 (3)C41—C42—C43—C380.9 (6)
C1—Sn1—C13—C14156.4 (3)C41—C42—C43—C44177.9 (4)
C7—Sn1—C13—C1434.1 (4)C39—C38—C43—C420.4 (6)
O2—Sn1—C13—C1462.1 (3)C37—C38—C43—C42179.6 (4)
O1—Sn1—C13—C14121.6 (3)C39—C38—C43—C44179.1 (4)
C18—C13—C14—C150.8 (7)C37—C38—C43—C440.9 (6)
Sn1—C13—C14—C15179.8 (4)C42—C43—C44—O472.1 (5)
C13—C14—C15—C162.4 (9)C38—C43—C44—O4109.3 (5)
C14—C15—C16—C173.8 (9)C42—C43—C44—C45100.9 (4)
C15—C16—C17—C182.1 (8)C38—C43—C44—C4577.7 (5)
C16—C17—C18—C131.2 (7)O4—C44—C45—C46154.9 (4)
C14—C13—C18—C172.6 (6)C43—C44—C45—C4618.0 (5)
Sn1—C13—C18—C17178.4 (3)O4—C44—C45—C5021.3 (6)
O1—P1—C19—C2019.2 (5)C43—C44—C45—C50165.9 (4)
C25—P1—C19—C20141.5 (4)C50—C45—C46—C470.9 (7)
C31—P1—C19—C20104.8 (4)C44—C45—C46—C47175.2 (4)
O1—P1—C19—C24159.2 (4)C45—C46—C47—C480.1 (7)
C25—P1—C19—C2436.8 (4)C46—C47—C48—C491.9 (8)
C31—P1—C19—C2476.9 (4)C47—C48—C49—C503.0 (8)
C24—C19—C20—C211.4 (8)C48—C49—C50—C452.1 (7)
P1—C19—C20—C21177.0 (4)C46—C45—C50—C490.2 (7)
C19—C20—C21—C221.9 (8)C44—C45—C50—C49176.4 (4)
 

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