(2-Benzoyl­benzoato-κO)triphen­yl(triphenyl­phosphine oxide-κO)tin(IV)

Diop, C.A.K.; Touré, A.; Diop, L.; Welter, R.

doi:10.1107/S160053680604726X

Buy article online - an online subscription or single-article purchase is required to access this article.

(2-Benzoylbenzoato-κO)triphenyl(triphenylphosphine oxide-κO)tin(IV)

C. A. K. Diop, A. Touré, L. Diop and R. Welter

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.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680604726X/hk2118sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680604726X/hk2118Isup2.hkl Contains datablock I

CCDC reference: 629918

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (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
M_r = 853.47	D_x = 1.393 Mg m⁻³
Monoclinic, Cc	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2yc	Cell parameters from 5808 reflections
a = 13.5072 (10) Å	θ = 1.0–30.0°
b = 14.7298 (10) Å	µ = 0.71 mm⁻¹
c = 20.481 (2) Å	T = 173 K
β = 93.22 (5)°	Prism, colorless
V = 4068.4 (6) Å³	0.13 × 0.10 × 0.08 mm
Z = 4

Data collection top

Nonius KappaCCD diffractometer	4977 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.036
Graphite monochromator	θ_max = 30.1°, θ_min = 2.8°
ω scans	h = −18→18
10419 measured reflections	k = −18→20
5944 independent reflections	l = −28→28

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.036	w = 1/[σ²(F_o²) + (0.0296P)² + 1.3481P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.074	(Δ/σ)_max = 0.003
S = 1.04	Δρ_max = 1.48 e Å⁻³
5944 reflections	Δρ_min = −0.81 e Å⁻³
506 parameters	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
2 restraints	Extinction coefficient: 0.00064 (13)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983) with 5949 Friedel pairs
Secondary atom site location: difference Fourier map	Absolute 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

	x	y	z	U_iso*/U_eq
Sn1	0.866772 (15)	0.683394 (15)	0.031379 (13)	0.02100 (7)
P1	0.98476 (8)	0.78630 (8)	−0.11291 (5)	0.0245 (2)
O1	0.9156 (2)	0.7288 (2)	−0.07479 (13)	0.0266 (6)
O2	0.8345 (2)	0.6450 (2)	0.13013 (12)	0.0255 (6)
O3	0.7894 (3)	0.5055 (3)	0.09896 (16)	0.0459 (11)
O4	0.8645 (2)	0.7499 (2)	0.26571 (16)	0.0396 (8)
C1	0.9709 (3)	0.5780 (3)	0.01831 (18)	0.0250 (8)
C2	0.9723 (4)	0.5307 (3)	−0.0401 (2)	0.0326 (11)
H2	0.9271	0.5465	−0.0755	0.039*
C3	1.0398 (4)	0.4599 (4)	−0.0474 (2)	0.0421 (12)
H3	1.0399	0.4273	−0.0874	0.051*
C4	1.1063 (4)	0.4372 (3)	0.0038 (2)	0.0417 (12)
H4	1.1524	0.3893	−0.0009	0.050*
C5	1.1052 (4)	0.4847 (4)	0.0616 (2)	0.0439 (12)
H5	1.1508	0.4690	0.0969	0.053*
C6	1.0386 (3)	0.5549 (3)	0.0692 (2)	0.0355 (11)
H6	1.0392	0.5874	0.1093	0.043*
C7	0.7179 (3)	0.6853 (3)	−0.00805 (19)	0.0224 (8)
C8	0.6400 (4)	0.6657 (4)	0.0309 (3)	0.0515 (16)
H8	0.6540	0.6476	0.0750	0.062*
C9	0.5421 (4)	0.6720 (5)	0.0071 (3)	0.067 (2)
H9	0.4903	0.6579	0.0350	0.080*
C10	0.5190 (4)	0.6983 (4)	−0.0562 (3)	0.0501 (14)
H10	0.4519	0.7016	−0.0726	0.060*
C11	0.5955 (3)	0.7199 (4)	−0.0958 (2)	0.0398 (11)
H11	0.5808	0.7389	−0.1396	0.048*
C12	0.6933 (3)	0.7140 (3)	−0.07173 (19)	0.0315 (10)
H12	0.7449	0.7298	−0.0993	0.038*
C13	0.9125 (3)	0.8114 (3)	0.07182 (18)	0.0209 (8)
C14	0.8425 (3)	0.8644 (3)	0.1018 (2)	0.0362 (11)
H14	0.7763	0.8432	0.1037	0.043*
C15	0.8690 (5)	0.9479 (4)	0.1288 (3)	0.0517 (16)
H15	0.8215	0.9825	0.1506	0.062*
C16	0.9632 (4)	0.9808 (4)	0.1244 (3)	0.0494 (13)
H16	0.9797	1.0396	0.1407	0.059*
C17	1.0337 (4)	0.9289 (4)	0.0965 (2)	0.0371 (11)
H17	1.0997	0.9508	0.0946	0.045*
C18	1.0084 (3)	0.8446 (3)	0.07102 (19)	0.0294 (9)
H18	1.0579	0.8085	0.0525	0.035*
C19	0.9316 (3)	0.8971 (3)	−0.12844 (19)	0.0290 (9)
C20	0.8566 (4)	0.9255 (4)	−0.0899 (2)	0.0394 (13)
H20	0.8365	0.8886	−0.0550	0.047*
C21	0.8108 (4)	1.0090 (4)	−0.1027 (3)	0.0447 (12)
H21	0.7580	1.0281	−0.0772	0.054*
C22	0.8416 (4)	1.0636 (3)	−0.1516 (2)	0.0422 (11)
H22	0.8107	1.1208	−0.1594	0.051*
C23	0.9168 (4)	1.0364 (4)	−0.1896 (2)	0.0430 (12)
H23	0.9379	1.0748	−0.2234	0.052*
C24	0.9619 (4)	0.9527 (3)	−0.1785 (2)	0.0375 (11)
H24	1.0134	0.9335	−0.2050	0.045*
C25	1.0065 (3)	0.7403 (3)	−0.19235 (19)	0.0276 (9)
C26	0.9294 (4)	0.6996 (3)	−0.2290 (2)	0.0353 (11)
H26	0.8674	0.6904	−0.2103	0.042*
C27	0.9420 (4)	0.6722 (4)	−0.2924 (2)	0.0442 (13)
H27	0.8893	0.6432	−0.3170	0.053*
C28	1.0319 (4)	0.6874 (4)	−0.3199 (2)	0.0487 (14)
H28	1.0400	0.6705	−0.3640	0.058*
C29	1.1091 (4)	0.7265 (5)	−0.2842 (2)	0.0539 (15)
H29	1.1707	0.7359	−0.3034	0.065*
C30	1.0978 (3)	0.7526 (5)	−0.2201 (3)	0.0425 (13)
H30	1.1519	0.7787	−0.1951	0.051*
C31	1.1053 (3)	0.7988 (3)	−0.07111 (19)	0.0291 (10)
C32	1.1422 (3)	0.8831 (3)	−0.05263 (19)	0.0354 (11)
H32	1.1067	0.9368	−0.0646	0.042*
C33	1.2330 (4)	0.8881 (4)	−0.0159 (2)	0.0451 (14)
H33	1.2600	0.9456	−0.0038	0.054*
C34	1.2825 (4)	0.8110 (4)	0.0026 (2)	0.0486 (15)
H34	1.3429	0.8153	0.0284	0.058*
C35	1.2462 (4)	0.7273 (5)	−0.0156 (3)	0.0513 (14)
H35	1.2820	0.6740	−0.0029	0.062*
C36	1.1564 (3)	0.7204 (4)	−0.0528 (2)	0.0381 (11)
H36	1.1307	0.6626	−0.0653	0.046*
C37	0.8059 (3)	0.5634 (3)	0.14142 (18)	0.0270 (9)
C38	0.7875 (3)	0.5416 (3)	0.21142 (18)	0.0241 (8)
C39	0.7282 (3)	0.4676 (3)	0.2239 (2)	0.0319 (10)
H39	0.7002	0.4329	0.1884	0.038*
C40	0.7089 (4)	0.4432 (3)	0.2875 (3)	0.0352 (12)
H40	0.6676	0.3926	0.2954	0.042*
C41	0.7501 (4)	0.4930 (3)	0.3388 (2)	0.0360 (11)
H41	0.7389	0.4757	0.3825	0.043*
C42	0.8078 (3)	0.5680 (3)	0.32714 (19)	0.0322 (10)
H42	0.8341	0.6030	0.3630	0.039*
C43	0.8281 (3)	0.5933 (3)	0.26371 (18)	0.0241 (8)
C44	0.8944 (3)	0.6739 (3)	0.25539 (18)	0.0255 (9)
C45	1.0002 (3)	0.6557 (3)	0.24193 (18)	0.0263 (9)
C46	1.0436 (4)	0.5715 (4)	0.2547 (2)	0.0368 (12)
H46	1.0047	0.5225	0.2693	0.044*
C47	1.1440 (4)	0.5593 (4)	0.2461 (2)	0.0441 (12)
H47	1.1739	0.5019	0.2548	0.053*
C48	1.2004 (4)	0.6303 (4)	0.2248 (3)	0.0490 (14)
H48	1.2694	0.6219	0.2203	0.059*
C49	1.1579 (4)	0.7131 (4)	0.2102 (3)	0.0459 (13)
H49	1.1965	0.7608	0.1936	0.055*
C50	1.0583 (4)	0.7263 (3)	0.2197 (2)	0.0347 (10)
H50	1.0292	0.7841	0.2109	0.042*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sn1	0.02100 (11)	0.02110 (11)	0.02090 (11)	0.00065 (16)	0.00109 (7)	−0.00069 (14)
P1	0.0250 (5)	0.0256 (5)	0.0235 (5)	−0.0023 (5)	0.0064 (4)	−0.0004 (4)
O1	0.0274 (16)	0.0257 (17)	0.0275 (14)	0.0000 (13)	0.0071 (11)	0.0036 (12)
O2	0.0321 (16)	0.0258 (16)	0.0186 (13)	−0.0021 (13)	0.0017 (11)	0.0028 (11)
O3	0.077 (3)	0.035 (2)	0.0265 (17)	−0.022 (2)	0.0085 (17)	−0.0089 (15)
O4	0.0441 (19)	0.0261 (18)	0.0493 (18)	0.0010 (15)	0.0096 (15)	−0.0112 (14)
C1	0.026 (2)	0.021 (2)	0.028 (2)	0.0016 (17)	0.0015 (15)	0.0018 (16)
C2	0.040 (3)	0.026 (3)	0.031 (2)	0.007 (2)	−0.0029 (19)	−0.0011 (18)
C3	0.052 (3)	0.035 (3)	0.040 (3)	0.010 (2)	0.007 (2)	−0.008 (2)
C4	0.045 (3)	0.033 (3)	0.048 (3)	0.016 (2)	0.012 (2)	0.001 (2)
C5	0.044 (3)	0.049 (3)	0.037 (3)	0.020 (3)	−0.004 (2)	0.003 (2)
C6	0.040 (3)	0.042 (3)	0.024 (2)	0.016 (2)	−0.0004 (17)	−0.0006 (18)
C7	0.0179 (18)	0.023 (2)	0.0261 (19)	0.0004 (17)	−0.0015 (14)	−0.0018 (15)
C8	0.023 (2)	0.084 (5)	0.048 (3)	0.001 (3)	0.003 (2)	0.031 (3)
C9	0.025 (3)	0.101 (6)	0.074 (4)	−0.006 (3)	0.003 (2)	0.039 (4)
C10	0.023 (2)	0.067 (4)	0.058 (3)	0.000 (2)	−0.011 (2)	−0.006 (3)
C11	0.033 (3)	0.053 (3)	0.033 (3)	0.010 (2)	−0.0066 (19)	−0.012 (2)
C12	0.023 (2)	0.049 (3)	0.022 (2)	0.008 (2)	0.0019 (15)	−0.0054 (18)
C13	0.0210 (19)	0.022 (2)	0.0193 (17)	−0.0020 (16)	−0.0020 (13)	−0.0005 (15)
C14	0.031 (3)	0.030 (3)	0.048 (3)	−0.001 (2)	0.0046 (19)	−0.008 (2)
C15	0.045 (3)	0.034 (3)	0.078 (4)	0.004 (3)	0.012 (3)	−0.024 (3)
C16	0.059 (3)	0.033 (3)	0.055 (3)	−0.013 (3)	−0.003 (3)	−0.011 (2)
C17	0.038 (3)	0.043 (3)	0.030 (2)	−0.015 (2)	0.0009 (18)	−0.002 (2)
C18	0.027 (2)	0.041 (3)	0.0208 (19)	−0.0066 (19)	0.0063 (15)	−0.0012 (17)
C19	0.034 (2)	0.026 (2)	0.028 (2)	−0.0008 (18)	0.0072 (17)	0.0015 (16)
C20	0.046 (3)	0.033 (3)	0.041 (3)	0.004 (2)	0.017 (2)	0.008 (2)
C21	0.053 (3)	0.028 (3)	0.054 (3)	0.010 (2)	0.016 (2)	0.004 (2)
C22	0.050 (3)	0.023 (2)	0.053 (3)	−0.002 (2)	−0.003 (2)	0.009 (2)
C23	0.058 (3)	0.033 (3)	0.039 (3)	−0.009 (2)	0.006 (2)	0.011 (2)
C24	0.046 (3)	0.033 (3)	0.034 (2)	−0.006 (2)	0.0127 (19)	0.0039 (19)
C25	0.032 (2)	0.027 (2)	0.025 (2)	−0.0025 (19)	0.0066 (16)	−0.0025 (16)
C26	0.033 (2)	0.044 (3)	0.029 (2)	−0.007 (2)	0.0037 (17)	−0.0025 (19)
C27	0.049 (3)	0.047 (3)	0.035 (3)	−0.008 (3)	−0.001 (2)	−0.012 (2)
C28	0.062 (4)	0.055 (4)	0.030 (2)	−0.005 (3)	0.012 (2)	−0.015 (2)
C29	0.040 (3)	0.085 (5)	0.038 (3)	−0.009 (3)	0.017 (2)	−0.017 (3)
C30	0.035 (3)	0.059 (3)	0.034 (2)	−0.006 (3)	0.011 (2)	−0.011 (2)
C31	0.024 (2)	0.041 (3)	0.023 (2)	−0.0069 (19)	0.0062 (15)	−0.0061 (17)
C32	0.041 (3)	0.042 (3)	0.024 (2)	−0.014 (2)	0.0066 (18)	−0.0050 (18)
C33	0.047 (3)	0.064 (4)	0.024 (2)	−0.024 (3)	0.002 (2)	−0.012 (2)
C34	0.028 (3)	0.082 (5)	0.035 (3)	−0.010 (3)	−0.0050 (19)	−0.009 (3)
C35	0.030 (3)	0.071 (4)	0.052 (3)	0.007 (3)	−0.005 (2)	−0.007 (3)
C36	0.028 (2)	0.045 (3)	0.041 (3)	0.000 (2)	−0.0002 (19)	−0.012 (2)
C37	0.030 (2)	0.027 (2)	0.024 (2)	−0.0050 (19)	0.0026 (16)	0.0010 (17)
C38	0.026 (2)	0.024 (2)	0.0233 (19)	0.0032 (17)	0.0035 (15)	0.0046 (15)
C39	0.033 (2)	0.032 (3)	0.030 (2)	−0.002 (2)	−0.0018 (17)	0.0020 (18)
C40	0.029 (3)	0.028 (3)	0.049 (3)	0.004 (2)	0.010 (2)	0.010 (2)
C41	0.045 (3)	0.035 (3)	0.029 (2)	0.008 (2)	0.0143 (19)	0.0087 (18)
C42	0.042 (3)	0.031 (2)	0.024 (2)	0.001 (2)	0.0060 (17)	−0.0032 (17)
C43	0.029 (2)	0.024 (2)	0.0201 (18)	0.0039 (18)	0.0037 (14)	−0.0030 (15)
C44	0.034 (2)	0.027 (2)	0.0158 (18)	0.0008 (18)	0.0007 (15)	−0.0025 (15)
C45	0.030 (2)	0.030 (2)	0.0181 (18)	−0.0042 (18)	−0.0013 (15)	−0.0060 (15)
C46	0.036 (3)	0.037 (3)	0.037 (3)	0.000 (2)	−0.004 (2)	−0.002 (2)
C47	0.040 (3)	0.045 (3)	0.046 (3)	0.012 (3)	−0.008 (2)	−0.001 (2)
C48	0.031 (3)	0.065 (4)	0.052 (3)	0.002 (3)	0.001 (2)	−0.013 (3)
C49	0.036 (3)	0.050 (4)	0.052 (3)	−0.012 (3)	0.006 (2)	−0.011 (2)
C50	0.039 (3)	0.031 (3)	0.034 (2)	−0.006 (2)	0.0026 (18)	−0.0056 (19)

Geometric parameters (Å, º) top

Sn1—C1	2.122 (4)	C22—C23	1.372 (7)
Sn1—C7	2.124 (4)	C22—H22	0.9500
Sn1—C13	2.137 (4)	C23—C24	1.388 (7)
Sn1—O2	2.168 (2)	C23—H23	0.9500
Sn1—O1	2.402 (3)	C24—H24	0.9500
P1—O1	1.511 (3)	C25—C26	1.385 (6)
P1—C25	1.802 (4)	C25—C30	1.399 (6)
P1—C19	1.804 (4)	C26—C27	1.380 (7)
P1—C31	1.806 (4)	C26—H26	0.9500
O2—C37	1.288 (5)	C27—C28	1.386 (8)
O3—C37	1.229 (5)	C27—H27	0.9500
O4—C44	1.213 (5)	C28—C29	1.366 (8)
C1—C2	1.386 (6)	C28—H28	0.9500
C1—C6	1.389 (6)	C29—C30	1.383 (7)
C2—C3	1.398 (7)	C29—H29	0.9500
C2—H2	0.9500	C30—H30	0.9500
C3—C4	1.383 (7)	C31—C32	1.383 (6)
C3—H3	0.9500	C31—C36	1.386 (7)
C4—C5	1.376 (7)	C32—C33	1.404 (7)
C4—H4	0.9500	C32—H32	0.9500
C5—C6	1.386 (7)	C33—C34	1.360 (8)
C5—H5	0.9500	C33—H33	0.9500
C6—H6	0.9500	C34—C35	1.370 (8)
C7—C8	1.386 (6)	C34—H34	0.9500
C7—C12	1.393 (6)	C35—C36	1.399 (7)
C8—C9	1.387 (7)	C35—H35	0.9500
C8—H8	0.9500	C36—H36	0.9500
C9—C10	1.372 (8)	C37—C38	1.503 (5)
C9—H9	0.9500	C38—C39	1.386 (6)
C10—C11	1.386 (8)	C38—C43	1.400 (6)
C10—H10	0.9500	C39—C40	1.389 (6)
C11—C12	1.388 (6)	C39—H39	0.9500
C11—H11	0.9500	C40—C41	1.373 (7)
C12—H12	0.9500	C40—H40	0.9500
C13—C18	1.385 (6)	C41—C42	1.380 (6)
C13—C14	1.395 (6)	C41—H41	0.9500
C14—C15	1.388 (7)	C42—C43	1.393 (5)
C14—H14	0.9500	C42—H42	0.9500
C15—C16	1.369 (8)	C43—C44	1.503 (6)
C15—H15	0.9500	C44—C45	1.494 (6)
C16—C17	1.371 (8)	C45—C46	1.390 (7)
C16—H16	0.9500	C45—C50	1.395 (6)
C17—C18	1.383 (7)	C46—C47	1.390 (7)
C17—H17	0.9500	C46—H46	0.9500
C18—H18	0.9500	C47—C48	1.378 (8)
C19—C20	1.384 (6)	C47—H47	0.9500
C19—C24	1.391 (6)	C48—C49	1.373 (9)
C20—C21	1.394 (7)	C48—H48	0.9500
C20—H20	0.9500	C49—C50	1.384 (7)
C21—C22	1.368 (7)	C49—H49	0.9500
C21—H21	0.9500	C50—H50	0.9500

C1—Sn1—C7	125.57 (16)	C22—C23—C24	119.9 (4)
C1—Sn1—C13	120.99 (15)	C22—C23—H23	120.1
C7—Sn1—C13	112.51 (15)	C24—C23—H23	120.1
C1—Sn1—O2	95.53 (14)	C23—C24—C19	120.0 (4)
C7—Sn1—O2	97.05 (14)	C23—C24—H24	120.0
C13—Sn1—O2	86.40 (13)	C19—C24—H24	120.0
C1—Sn1—O1	82.65 (13)	C26—C25—C30	119.2 (4)
C7—Sn1—O1	87.38 (13)	C26—C25—P1	119.8 (3)
C13—Sn1—O1	90.97 (12)	C30—C25—P1	120.7 (4)
O2—Sn1—O1	175.46 (11)	C27—C26—C25	120.5 (4)
O1—P1—C25	113.13 (19)	C27—C26—H26	119.7
O1—P1—C19	110.27 (18)	C25—C26—H26	119.7
C25—P1—C19	105.33 (19)	C26—C27—C28	119.5 (5)
O1—P1—C31	112.29 (18)	C26—C27—H27	120.2
C25—P1—C31	106.16 (19)	C28—C27—H27	120.2
C19—P1—C31	109.3 (2)	C29—C28—C27	120.7 (4)
P1—O1—Sn1	146.43 (18)	C29—C28—H28	119.7
C37—O2—Sn1	119.3 (2)	C27—C28—H28	119.7
C2—C1—C6	119.0 (4)	C28—C29—C30	120.2 (5)
C2—C1—Sn1	121.2 (3)	C28—C29—H29	119.9
C6—C1—Sn1	119.8 (3)	C30—C29—H29	119.9
C1—C2—C3	120.5 (4)	C29—C30—C25	119.8 (5)
C1—C2—H2	119.7	C29—C30—H30	120.1
C3—C2—H2	119.7	C25—C30—H30	120.1
C4—C3—C2	119.9 (4)	C32—C31—C36	120.5 (4)
C4—C3—H3	120.1	C32—C31—P1	121.5 (4)
C2—C3—H3	120.1	C36—C31—P1	117.8 (3)
C5—C4—C3	119.5 (4)	C31—C32—C33	119.0 (5)
C5—C4—H4	120.2	C31—C32—H32	120.5
C3—C4—H4	120.2	C33—C32—H32	120.5
C4—C5—C6	120.9 (4)	C34—C33—C32	120.4 (5)
C4—C5—H5	119.6	C34—C33—H33	119.8
C6—C5—H5	119.6	C32—C33—H33	119.8
C5—C6—C1	120.2 (4)	C33—C34—C35	120.9 (5)
C5—C6—H6	119.9	C33—C34—H34	119.6
C1—C6—H6	119.9	C35—C34—H34	119.6
C8—C7—C12	117.0 (4)	C34—C35—C36	119.9 (5)
C8—C7—Sn1	120.8 (3)	C34—C35—H35	120.1
C12—C7—Sn1	122.0 (3)	C36—C35—H35	120.1
C7—C8—C9	121.6 (5)	C31—C36—C35	119.4 (5)
C7—C8—H8	119.2	C31—C36—H36	120.3
C9—C8—H8	119.2	C35—C36—H36	120.3
C10—C9—C8	120.8 (5)	O3—C37—O2	124.4 (4)
C10—C9—H9	119.6	O3—C37—C38	119.6 (4)
C8—C9—H9	119.6	O2—C37—C38	115.9 (3)
C9—C10—C11	118.8 (5)	C39—C38—C43	119.5 (4)
C9—C10—H10	120.6	C39—C38—C37	118.2 (4)
C11—C10—H10	120.6	C43—C38—C37	122.4 (4)
C10—C11—C12	120.2 (4)	C38—C39—C40	121.2 (4)
C10—C11—H11	119.9	C38—C39—H39	119.4
C12—C11—H11	119.9	C40—C39—H39	119.4
C11—C12—C7	121.6 (4)	C41—C40—C39	119.4 (4)
C11—C12—H12	119.2	C41—C40—H40	120.3
C7—C12—H12	119.2	C39—C40—H40	120.3
C18—C13—C14	117.7 (4)	C40—C41—C42	120.2 (4)
C18—C13—Sn1	123.9 (3)	C40—C41—H41	119.9
C14—C13—Sn1	118.4 (3)	C42—C41—H41	119.9
C15—C14—C13	120.4 (4)	C41—C42—C43	121.2 (4)
C15—C14—H14	119.8	C41—C42—H42	119.4
C13—C14—H14	119.8	C43—C42—H42	119.4
C16—C15—C14	120.5 (5)	C42—C43—C38	118.6 (4)
C16—C15—H15	119.8	C42—C43—C44	117.8 (3)
C14—C15—H15	119.8	C38—C43—C44	123.6 (3)
C15—C16—C17	120.0 (5)	O4—C44—C45	122.0 (4)
C15—C16—H16	120.0	O4—C44—C43	120.2 (4)
C17—C16—H16	120.0	C45—C44—C43	117.5 (4)
C16—C17—C18	119.7 (4)	C46—C45—C50	119.2 (4)
C16—C17—H17	120.2	C46—C45—C44	121.5 (4)
C18—C17—H17	120.2	C50—C45—C44	119.2 (4)
C17—C18—C13	121.7 (4)	C45—C46—C47	119.7 (5)
C17—C18—H18	119.2	C45—C46—H46	120.1
C13—C18—H18	119.2	C47—C46—H46	120.1
C20—C19—C24	119.8 (4)	C48—C47—C46	120.2 (5)
C20—C19—P1	118.1 (3)	C48—C47—H47	119.9
C24—C19—P1	122.1 (3)	C46—C47—H47	119.9
C19—C20—C21	119.4 (5)	C49—C48—C47	120.7 (5)
C19—C20—H20	120.3	C49—C48—H48	119.6
C21—C20—H20	120.3	C47—C48—H48	119.6
C22—C21—C20	120.4 (5)	C48—C49—C50	119.5 (5)
C22—C21—H21	119.8	C48—C49—H49	120.2
C20—C21—H21	119.8	C50—C49—H49	120.2
C21—C22—C23	120.6 (5)	C49—C50—C45	120.7 (5)
C21—C22—H22	119.7	C49—C50—H50	119.7
C23—C22—H22	119.7	C45—C50—H50	119.7

C25—P1—O1—Sn1	152.8 (3)	C20—C21—C22—C23	1.1 (8)
C19—P1—O1—Sn1	−89.6 (3)	C21—C22—C23—C24	0.2 (8)
C31—P1—O1—Sn1	32.6 (4)	C22—C23—C24—C19	−0.7 (8)
C1—Sn1—O1—P1	−91.8 (3)	C20—C19—C24—C23	−0.1 (7)
C7—Sn1—O1—P1	141.8 (3)	P1—C19—C24—C23	178.2 (4)
C13—Sn1—O1—P1	29.3 (3)	O1—P1—C25—C26	38.4 (4)
C1—Sn1—O2—C37	−54.9 (3)	C19—P1—C25—C26	−82.2 (4)
C7—Sn1—O2—C37	72.0 (3)	C31—P1—C25—C26	161.9 (4)
C13—Sn1—O2—C37	−175.7 (3)	O1—P1—C25—C30	−147.6 (4)
C7—Sn1—C1—C2	35.8 (4)	C19—P1—C25—C30	91.9 (5)
C13—Sn1—C1—C2	−132.4 (4)	C31—P1—C25—C30	−24.0 (5)
O2—Sn1—C1—C2	138.5 (4)	C30—C25—C26—C27	−0.7 (8)
O1—Sn1—C1—C2	−45.7 (4)	P1—C25—C26—C27	173.4 (4)
C7—Sn1—C1—C6	−143.6 (3)	C25—C26—C27—C28	−1.3 (8)
C13—Sn1—C1—C6	48.3 (4)	C26—C27—C28—C29	2.1 (9)
O2—Sn1—C1—C6	−40.8 (4)	C27—C28—C29—C30	−0.8 (10)
O1—Sn1—C1—C6	135.0 (4)	C28—C29—C30—C25	−1.2 (10)
C6—C1—C2—C3	1.0 (7)	C26—C25—C30—C29	2.0 (9)
Sn1—C1—C2—C3	−178.3 (4)	P1—C25—C30—C29	−172.1 (5)
C1—C2—C3—C4	−0.6 (8)	O1—P1—C31—C32	−119.4 (3)
C2—C3—C4—C5	0.2 (8)	C25—P1—C31—C32	116.5 (3)
C3—C4—C5—C6	−0.2 (8)	C19—P1—C31—C32	3.3 (4)
C4—C5—C6—C1	0.6 (8)	O1—P1—C31—C36	54.9 (4)
C2—C1—C6—C5	−1.0 (7)	C25—P1—C31—C36	−69.2 (4)
Sn1—C1—C6—C5	178.3 (4)	C19—P1—C31—C36	177.7 (3)
C1—Sn1—C7—C8	102.7 (4)	C36—C31—C32—C33	0.9 (6)
C13—Sn1—C7—C8	−88.3 (4)	P1—C31—C32—C33	175.2 (3)
O2—Sn1—C7—C8	0.7 (4)	C31—C32—C33—C34	−1.6 (7)
O1—Sn1—C7—C8	−178.3 (4)	C32—C33—C34—C35	1.6 (8)
C1—Sn1—C7—C12	−83.3 (4)	C33—C34—C35—C36	−1.0 (8)
C13—Sn1—C7—C12	85.7 (4)	C32—C31—C36—C35	−0.3 (7)
O2—Sn1—C7—C12	174.7 (4)	P1—C31—C36—C35	−174.7 (4)
O1—Sn1—C7—C12	−4.3 (4)	C34—C35—C36—C31	0.3 (8)
C12—C7—C8—C9	1.7 (9)	Sn1—O2—C37—O3	−4.6 (6)
Sn1—C7—C8—C9	176.0 (5)	Sn1—O2—C37—C38	178.5 (3)
C7—C8—C9—C10	−0.2 (11)	O3—C37—C38—C39	−17.2 (6)
C8—C9—C10—C11	−1.0 (10)	O2—C37—C38—C39	159.8 (4)
C9—C10—C11—C12	0.7 (9)	O3—C37—C38—C43	162.7 (4)
C10—C11—C12—C7	0.8 (8)	O2—C37—C38—C43	−20.2 (6)
C8—C7—C12—C11	−2.0 (7)	C43—C38—C39—C40	−0.6 (7)
Sn1—C7—C12—C11	−176.2 (4)	C37—C38—C39—C40	179.4 (4)
C1—Sn1—C13—C18	22.6 (4)	C38—C39—C40—C41	−0.6 (7)
C7—Sn1—C13—C18	−146.9 (3)	C39—C40—C41—C42	1.9 (7)
O2—Sn1—C13—C18	116.9 (3)	C40—C41—C42—C43	−2.0 (7)
O1—Sn1—C13—C18	−59.4 (3)	C41—C42—C43—C38	0.9 (6)
C1—Sn1—C13—C14	−156.4 (3)	C41—C42—C43—C44	−177.9 (4)
C7—Sn1—C13—C14	34.1 (4)	C39—C38—C43—C42	0.4 (6)
O2—Sn1—C13—C14	−62.1 (3)	C37—C38—C43—C42	−179.6 (4)
O1—Sn1—C13—C14	121.6 (3)	C39—C38—C43—C44	179.1 (4)
C18—C13—C14—C15	0.8 (7)	C37—C38—C43—C44	−0.9 (6)
Sn1—C13—C14—C15	179.8 (4)	C42—C43—C44—O4	−72.1 (5)
C13—C14—C15—C16	2.4 (9)	C38—C43—C44—O4	109.3 (5)
C14—C15—C16—C17	−3.8 (9)	C42—C43—C44—C45	100.9 (4)
C15—C16—C17—C18	2.1 (8)	C38—C43—C44—C45	−77.7 (5)
C16—C17—C18—C13	1.2 (7)	O4—C44—C45—C46	154.9 (4)
C14—C13—C18—C17	−2.6 (6)	C43—C44—C45—C46	−18.0 (5)
Sn1—C13—C18—C17	178.4 (3)	O4—C44—C45—C50	−21.3 (6)
O1—P1—C19—C20	19.2 (5)	C43—C44—C45—C50	165.9 (4)
C25—P1—C19—C20	141.5 (4)	C50—C45—C46—C47	0.9 (7)
C31—P1—C19—C20	−104.8 (4)	C44—C45—C46—C47	−175.2 (4)
O1—P1—C19—C24	−159.2 (4)	C45—C46—C47—C48	−0.1 (7)
C25—P1—C19—C24	−36.8 (4)	C46—C47—C48—C49	−1.9 (8)
C31—P1—C19—C24	76.9 (4)	C47—C48—C49—C50	3.0 (8)
C24—C19—C20—C21	1.4 (8)	C48—C49—C50—C45	−2.1 (7)
P1—C19—C20—C21	−177.0 (4)	C46—C45—C50—C49	0.2 (7)
C19—C20—C21—C22	−1.9 (8)	C44—C45—C50—C49	176.4 (4)

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page