[4-(Diethyl­amino)benzoato-κO]triphenyl­tin(IV)

The Sn atom in the title compound, [Sn(C₆H₅)₃(C₁₁H₁₄NO₂)], shows tetra­hedral coordination. The asymmetric unit has two independent mol­ecules; the crystal structure is stabilized by C—H...O and C—H...π inter­actions.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.002 Å
• R factor = 0.027
• wR factor = 0.072
• Data-to-parameter ratio = 43.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.37
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)         100 Deg.
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.53 Ratio
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         14

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

[4-(Diethylamino)benzoato-κO]triphenyltin(IV)

Crystal data

[Sn(C6H5)3(C11H14NO2)]	Z = 4
Mr = 542.22	F(000) = 1104
Triclinic, P1	Dx = 1.443 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.8876 (3) Å	Cell parameters from 9586 reflections
b = 13.0407 (3) Å	θ = 1.2–37.5°
c = 17.8896 (5) Å	µ = 1.05 mm^−1
α = 84.632 (1)°	T = 100 K
β = 82.117 (1)°	Block, colourless
γ = 84.260 (1)°	0.41 × 0.36 × 0.31 mm
V = 2495.16 (11) Å^3

Data collection

Bruker SMART APEX2 CCD diffractometer	26062 independent reflections
Radiation source: fine-focus sealed tube	21490 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.032
Detector resolution: 8.33 pixels mm^-1	θmax = 37.5°, θmin = 1.2°
ω scans	h = −18→18
Absorption correction: multi-scan (SADABS; Bruker, 2005)	k = −22→22
Tmin = 0.646, Tmax = 0.735	l = −30→30
104338 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.072	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0321P)^2 + 0.7386P] where P = (Fo^2 + 2Fc^2)/3
26062 reflections	(Δ/σ)max < 0.001
595 parameters	Δρmax = 0.94 e Å^−3
0 restraints	Δρmin = −0.40 e Å^−3

Special details

Experimental. FT–IR as KBr disc (cm-1): v(COO)as 1603, v(COO)s 1347, v(O—Sn—O) 617, v(Sn—O) 448. 1H NMR: δ: phenyl protons 7.48–7.53 (9H, m); 7.80–7.95 (6H, m); benzene 6.65–6.67 (2H, d, J = 9.1 Hz); 8.06–8.08 (2H, d, J = 9.1 Hz); N-(CH2CH3)2 3.43–3.45 (4H, q, J = 7.1 Hz); 1.21–1.24 (6H, t, 6.8 Hz) p.p.m. 13 C NMR: δ: phenyl carbons Cipso 139.75, Cortho 137.39 (48.05 Hz), Cmeta 129.20 (63.16?Hz), Cpara 130.28; benzene 110.53, 116.29, 133.25, 151.41; N(CH2CH3)2 12.92, 44.92; COO 173.95 p.p.m. 119Sn NMR: δ: -127.33 p.p.m.

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 (Ų)

	x	y	z	Uiso*/Ueq
Sn1A	0.232737 (7)	0.120962 (6)	0.153830 (4)	0.01695 (2)
O1A	0.37995 (8)	0.21015 (7)	0.11846 (5)	0.02091 (15)
O2A	0.32743 (9)	0.25267 (8)	0.23606 (5)	0.02427 (17)
N1A	0.66931 (10)	0.61659 (8)	0.09829 (6)	0.02212 (19)
C1A	0.19788 (13)	0.05763 (11)	−0.00837 (7)	0.0257 (2)
H1AA	0.1328	0.1096	−0.0083	0.031*
C2A	0.23065 (15)	0.00048 (12)	−0.07150 (8)	0.0309 (3)
H2AA	0.1870	0.0145	−0.1130	0.037*
C3A	0.32769 (14)	−0.07687 (11)	−0.07272 (8)	0.0287 (3)
H3AA	0.3491	−0.1148	−0.1148	0.034*
C4A	0.39246 (12)	−0.09737 (11)	−0.01103 (8)	0.0261 (2)
H4AA	0.4579	−0.1490	−0.0116	0.031*
C5A	0.35976 (11)	−0.04080 (10)	0.05197 (8)	0.0231 (2)
H5AA	0.4039	−0.0553	0.0933	0.028*
C6A	0.26195 (11)	0.03735 (9)	0.05451 (7)	0.01990 (19)
C7A	0.25580 (11)	0.01300 (10)	0.24940 (7)	0.02001 (19)
C8A	0.26221 (13)	−0.09309 (10)	0.24174 (8)	0.0248 (2)
H8AA	0.2589	−0.1164	0.1946	0.030*
C9A	0.27349 (15)	−0.16427 (12)	0.30406 (9)	0.0312 (3)
H9AA	0.2778	−0.2347	0.2982	0.037*
C10A	0.27837 (15)	−0.13070 (13)	0.37458 (9)	0.0322 (3)
H10A	0.2875	−0.1783	0.4159	0.039*
C11A	0.26950 (17)	−0.02539 (13)	0.38316 (8)	0.0353 (3)
H11A	0.2711	−0.0024	0.4307	0.042*
C12A	0.25828 (15)	0.04580 (12)	0.32118 (8)	0.0298 (3)
H12A	0.2524	0.1162	0.3276	0.036*
C13A	−0.02679 (11)	0.21252 (10)	0.11951 (7)	0.0214 (2)
H13A	−0.0193	0.1573	0.0893	0.026*
C14A	−0.13456 (12)	0.27974 (11)	0.12385 (8)	0.0255 (2)
H14A	−0.1982	0.2697	0.0963	0.031*
C15A	−0.14720 (12)	0.36157 (11)	0.16919 (8)	0.0270 (2)
H15A	−0.2196	0.4061	0.1724	0.032*
C16A	−0.05207 (12)	0.37719 (10)	0.20981 (8)	0.0259 (2)
H16A	−0.0606	0.4322	0.2402	0.031*
C17A	0.05652 (11)	0.31034 (10)	0.20517 (8)	0.0233 (2)
H17A	0.1203	0.3213	0.2324	0.028*
C18A	0.07047 (10)	0.22695 (9)	0.15998 (7)	0.01852 (18)
C19A	0.38771 (10)	0.26945 (9)	0.17306 (7)	0.01899 (19)
C20A	0.46500 (10)	0.35646 (9)	0.15350 (7)	0.01793 (18)
C21A	0.46492 (11)	0.42999 (10)	0.20563 (7)	0.0208 (2)
H21A	0.4199	0.4204	0.2535	0.025*
C22A	0.52994 (11)	0.51644 (10)	0.18785 (7)	0.0221 (2)
H22A	0.5268	0.5645	0.2235	0.026*
C23A	0.60150 (10)	0.53301 (9)	0.11603 (7)	0.01842 (18)
C24A	0.60097 (11)	0.45818 (9)	0.06362 (7)	0.01928 (19)
H24A	0.6466	0.4667	0.0159	0.023*
C25A	0.53412 (11)	0.37298 (9)	0.08203 (7)	0.01902 (19)
H25A	0.5349	0.3255	0.0463	0.023*
C26A	0.67789 (14)	0.68969 (12)	0.15369 (9)	0.0294 (3)
H26A	0.7582	0.7179	0.1431	0.035*
H26B	0.6726	0.6535	0.2038	0.035*
C27A	0.57548 (18)	0.77772 (14)	0.15292 (13)	0.0453 (4)
H27A	0.5845	0.8240	0.1901	0.068*
H27B	0.4958	0.7503	0.1644	0.068*
H27C	0.5813	0.8146	0.1037	0.068*
C28A	0.73938 (12)	0.63671 (10)	0.02353 (8)	0.0244 (2)
H28A	0.7454	0.7106	0.0136	0.029*
H28B	0.6942	0.6147	−0.0144	0.029*
C29A	0.86960 (14)	0.58162 (13)	0.01607 (10)	0.0330 (3)
H29A	0.9113	0.5975	−0.0339	0.050*
H29B	0.8643	0.5083	0.0247	0.050*
H29C	0.9155	0.6042	0.0527	0.050*
Sn1B	0.107692 (7)	0.217522 (6)	0.682315 (4)	0.01738 (2)
O1B	0.27305 (9)	0.28618 (7)	0.66038 (5)	0.02198 (16)
O2B	0.12953 (9)	0.41812 (8)	0.65603 (6)	0.02370 (17)
N1B	0.62957 (10)	0.64992 (8)	0.56881 (6)	0.02054 (18)
C1B	−0.07930 (13)	0.35602 (11)	0.78514 (8)	0.0266 (2)
H1BA	−0.0700	0.4057	0.7444	0.032*
C2B	−0.16359 (16)	0.37705 (12)	0.84897 (9)	0.0348 (3)
H2BA	−0.2108	0.4405	0.8505	0.042*
C3B	−0.17734 (15)	0.30379 (13)	0.91024 (9)	0.0325 (3)
H3BA	−0.2338	0.3181	0.9527	0.039*
C4B	−0.10692 (13)	0.20913 (11)	0.90819 (8)	0.0269 (2)
H4BA	−0.1153	0.1602	0.9494	0.032*
C5B	−0.02383 (12)	0.18770 (10)	0.84433 (7)	0.0228 (2)
H5BA	0.0225	0.1239	0.8429	0.027*
C6B	−0.00882 (11)	0.26069 (9)	0.78211 (7)	0.01954 (19)
C7B	0.19764 (11)	0.06534 (9)	0.69858 (7)	0.01995 (19)
C8B	0.12848 (12)	−0.02100 (10)	0.70771 (7)	0.0222 (2)
H8BA	0.0429	−0.0119	0.7068	0.027*
C9B	0.18659 (14)	−0.12029 (10)	0.71819 (7)	0.0251 (2)
H9BA	0.1397	−0.1770	0.7240	0.030*
C10B	0.31376 (14)	−0.13510 (11)	0.72001 (8)	0.0274 (3)
H10B	0.3520	−0.2015	0.7279	0.033*
C11B	0.38424 (13)	−0.05061 (11)	0.71003 (8)	0.0285 (3)
H11B	0.4698	−0.0605	0.7108	0.034*
C12B	0.32661 (12)	0.04897 (10)	0.69878 (8)	0.0237 (2)
H12B	0.3744	0.1052	0.6913	0.028*
C13B	0.04811 (13)	0.14701 (10)	0.53379 (8)	0.0243 (2)
H13B	0.0991	0.0886	0.5474	0.029*
C14B	−0.00514 (15)	0.15228 (11)	0.46682 (8)	0.0303 (3)
H14B	0.0107	0.0978	0.4359	0.036*
C15B	−0.08175 (16)	0.23883 (12)	0.44639 (8)	0.0319 (3)
H15B	−0.1179	0.2422	0.4019	0.038*
C16B	−0.10446 (15)	0.32042 (12)	0.49240 (8)	0.0301 (3)
H16B	−0.1554	0.3787	0.4786	0.036*
C17B	−0.05131 (13)	0.31529 (10)	0.55905 (8)	0.0244 (2)
H17B	−0.0671	0.3702	0.5897	0.029*
C18B	0.02563 (11)	0.22841 (9)	0.58046 (7)	0.01913 (19)
C19B	0.24126 (11)	0.38604 (9)	0.64970 (7)	0.01962 (19)
C20B	0.34318 (11)	0.45291 (9)	0.63042 (6)	0.01827 (18)
C21B	0.46664 (11)	0.41264 (9)	0.61181 (7)	0.02008 (19)
H21B	0.4852	0.3414	0.6129	0.024*
C22B	0.56133 (11)	0.47684 (9)	0.59181 (7)	0.01983 (19)
H22B	0.6425	0.4481	0.5797	0.024*
C23B	0.53688 (11)	0.58575 (9)	0.58939 (6)	0.01799 (18)
C24B	0.41208 (11)	0.62549 (9)	0.60930 (7)	0.01957 (19)
H24B	0.3929	0.6966	0.6091	0.023*
C25B	0.31841 (11)	0.56037 (9)	0.62903 (7)	0.01934 (19)
H25B	0.2371	0.5885	0.6417	0.023*
C26B	0.75955 (12)	0.60989 (10)	0.55081 (7)	0.0231 (2)
H26C	0.8041	0.6619	0.5187	0.028*
H26D	0.7630	0.5495	0.5226	0.028*
C27B	0.82382 (14)	0.58069 (12)	0.62100 (9)	0.0297 (3)
H27D	0.9086	0.5550	0.6062	0.045*
H27E	0.7812	0.5281	0.6525	0.045*
H27F	0.8223	0.6405	0.6487	0.045*
C28B	0.60750 (13)	0.76097 (9)	0.57682 (8)	0.0234 (2)
H28C	0.6850	0.7872	0.5839	0.028*
H28D	0.5488	0.7724	0.6218	0.028*
C29B	0.55692 (17)	0.82167 (12)	0.50879 (9)	0.0332 (3)
H29D	0.5443	0.8938	0.5173	0.050*
H29E	0.4791	0.7973	0.5021	0.050*
H29F	0.6155	0.8122	0.4642	0.050*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1A	0.01533 (3)	0.01867 (3)	0.01684 (3)	0.00027 (2)	−0.00050 (2)	−0.00571 (2)
O1A	0.0188 (4)	0.0216 (4)	0.0221 (4)	−0.0024 (3)	0.0012 (3)	−0.0059 (3)
O2A	0.0214 (4)	0.0282 (5)	0.0222 (4)	−0.0039 (3)	0.0027 (3)	−0.0029 (3)
N1A	0.0211 (4)	0.0215 (5)	0.0247 (5)	−0.0030 (3)	−0.0038 (4)	−0.0039 (4)
C1A	0.0306 (6)	0.0265 (6)	0.0197 (5)	0.0017 (5)	−0.0028 (4)	−0.0053 (4)
C2A	0.0383 (7)	0.0361 (7)	0.0191 (6)	0.0000 (6)	−0.0041 (5)	−0.0081 (5)
C3A	0.0330 (7)	0.0301 (6)	0.0232 (6)	−0.0066 (5)	0.0050 (5)	−0.0125 (5)
C4A	0.0230 (5)	0.0264 (6)	0.0288 (6)	−0.0025 (4)	0.0045 (4)	−0.0132 (5)
C5A	0.0194 (5)	0.0259 (6)	0.0249 (6)	−0.0008 (4)	−0.0006 (4)	−0.0115 (4)
C6A	0.0211 (5)	0.0202 (5)	0.0187 (5)	−0.0027 (4)	0.0007 (4)	−0.0065 (4)
C7A	0.0158 (4)	0.0247 (5)	0.0196 (5)	−0.0020 (4)	−0.0007 (4)	−0.0043 (4)
C8A	0.0272 (6)	0.0236 (6)	0.0237 (6)	−0.0009 (4)	−0.0039 (4)	−0.0033 (4)
C9A	0.0349 (7)	0.0271 (6)	0.0314 (7)	−0.0021 (5)	−0.0060 (6)	0.0007 (5)
C10A	0.0321 (7)	0.0373 (8)	0.0278 (7)	−0.0102 (6)	−0.0073 (5)	0.0066 (6)
C11A	0.0467 (9)	0.0418 (8)	0.0198 (6)	−0.0181 (7)	−0.0041 (6)	−0.0006 (5)
C12A	0.0399 (8)	0.0301 (7)	0.0204 (6)	−0.0109 (5)	0.0000 (5)	−0.0047 (5)
C13A	0.0192 (5)	0.0271 (6)	0.0182 (5)	−0.0026 (4)	−0.0017 (4)	−0.0034 (4)
C14A	0.0191 (5)	0.0351 (7)	0.0212 (5)	0.0001 (4)	−0.0040 (4)	0.0021 (5)
C15A	0.0220 (5)	0.0260 (6)	0.0291 (6)	0.0053 (4)	−0.0001 (4)	0.0048 (5)
C16A	0.0234 (5)	0.0200 (5)	0.0326 (7)	0.0032 (4)	0.0011 (5)	−0.0059 (5)
C17A	0.0186 (5)	0.0240 (5)	0.0282 (6)	0.0001 (4)	−0.0020 (4)	−0.0095 (4)
C18A	0.0166 (4)	0.0202 (5)	0.0183 (5)	0.0005 (3)	−0.0011 (3)	−0.0030 (4)
C19A	0.0146 (4)	0.0214 (5)	0.0204 (5)	0.0013 (3)	−0.0014 (3)	−0.0031 (4)
C20A	0.0147 (4)	0.0214 (5)	0.0177 (5)	−0.0003 (3)	−0.0021 (3)	−0.0029 (4)
C21A	0.0183 (5)	0.0279 (6)	0.0165 (5)	−0.0016 (4)	−0.0019 (4)	−0.0046 (4)
C22A	0.0201 (5)	0.0277 (6)	0.0198 (5)	−0.0019 (4)	−0.0035 (4)	−0.0079 (4)
C23A	0.0157 (4)	0.0200 (5)	0.0200 (5)	0.0008 (3)	−0.0048 (4)	−0.0026 (4)
C24A	0.0181 (5)	0.0213 (5)	0.0178 (5)	0.0000 (4)	−0.0004 (4)	−0.0029 (4)
C25A	0.0178 (4)	0.0195 (5)	0.0194 (5)	0.0009 (3)	−0.0007 (4)	−0.0046 (4)
C26A	0.0301 (6)	0.0309 (7)	0.0311 (7)	−0.0087 (5)	−0.0091 (5)	−0.0083 (5)
C27A	0.0433 (9)	0.0332 (8)	0.0609 (12)	0.0007 (7)	−0.0020 (8)	−0.0240 (8)
C28A	0.0245 (5)	0.0218 (5)	0.0261 (6)	−0.0028 (4)	−0.0045 (4)	0.0041 (4)
C29A	0.0233 (6)	0.0351 (7)	0.0366 (8)	−0.0021 (5)	0.0038 (5)	0.0069 (6)
Sn1B	0.01789 (3)	0.01769 (3)	0.01621 (3)	−0.00167 (2)	−0.00086 (2)	−0.00145 (2)
O1B	0.0224 (4)	0.0202 (4)	0.0234 (4)	−0.0046 (3)	−0.0019 (3)	−0.0007 (3)
O2B	0.0206 (4)	0.0262 (4)	0.0246 (4)	−0.0040 (3)	−0.0019 (3)	−0.0029 (3)
N1B	0.0217 (4)	0.0182 (4)	0.0220 (5)	−0.0041 (3)	−0.0006 (3)	−0.0038 (3)
C1B	0.0311 (6)	0.0239 (6)	0.0223 (6)	0.0022 (4)	0.0014 (5)	−0.0012 (4)
C2B	0.0395 (8)	0.0296 (7)	0.0307 (7)	0.0072 (6)	0.0065 (6)	−0.0057 (6)
C3B	0.0354 (7)	0.0357 (7)	0.0239 (6)	−0.0009 (6)	0.0069 (5)	−0.0071 (5)
C4B	0.0296 (6)	0.0312 (6)	0.0191 (5)	−0.0053 (5)	0.0012 (4)	−0.0017 (5)
C5B	0.0240 (5)	0.0245 (5)	0.0192 (5)	−0.0021 (4)	−0.0008 (4)	−0.0009 (4)
C6B	0.0191 (5)	0.0219 (5)	0.0177 (5)	−0.0021 (4)	−0.0012 (4)	−0.0030 (4)
C7B	0.0221 (5)	0.0188 (5)	0.0180 (5)	−0.0013 (4)	0.0002 (4)	−0.0012 (4)
C8B	0.0235 (5)	0.0214 (5)	0.0207 (5)	−0.0035 (4)	0.0005 (4)	−0.0004 (4)
C9B	0.0349 (7)	0.0205 (5)	0.0187 (5)	−0.0043 (4)	0.0020 (4)	−0.0008 (4)
C10B	0.0362 (7)	0.0213 (5)	0.0216 (6)	0.0050 (5)	0.0022 (5)	−0.0026 (4)
C11B	0.0245 (6)	0.0304 (6)	0.0283 (6)	0.0051 (5)	0.0001 (5)	−0.0031 (5)
C12B	0.0213 (5)	0.0241 (5)	0.0248 (6)	−0.0011 (4)	−0.0011 (4)	−0.0015 (4)
C13B	0.0291 (6)	0.0207 (5)	0.0234 (6)	0.0001 (4)	−0.0048 (4)	−0.0043 (4)
C14B	0.0405 (8)	0.0270 (6)	0.0253 (6)	0.0012 (5)	−0.0086 (5)	−0.0099 (5)
C15B	0.0417 (8)	0.0328 (7)	0.0234 (6)	0.0021 (6)	−0.0117 (5)	−0.0081 (5)
C16B	0.0362 (7)	0.0289 (6)	0.0258 (6)	0.0063 (5)	−0.0110 (5)	−0.0053 (5)
C17B	0.0279 (6)	0.0235 (5)	0.0226 (5)	0.0030 (4)	−0.0059 (4)	−0.0069 (4)
C18B	0.0200 (5)	0.0196 (5)	0.0177 (5)	−0.0026 (4)	−0.0011 (4)	−0.0025 (4)
C19B	0.0231 (5)	0.0212 (5)	0.0150 (4)	−0.0046 (4)	−0.0019 (4)	−0.0018 (4)
C20B	0.0208 (5)	0.0189 (5)	0.0155 (4)	−0.0031 (3)	−0.0023 (4)	−0.0019 (4)
C21B	0.0223 (5)	0.0179 (5)	0.0202 (5)	−0.0021 (4)	−0.0017 (4)	−0.0034 (4)
C22B	0.0203 (5)	0.0189 (5)	0.0202 (5)	−0.0015 (4)	−0.0005 (4)	−0.0044 (4)
C23B	0.0215 (5)	0.0181 (5)	0.0150 (4)	−0.0031 (3)	−0.0022 (3)	−0.0031 (3)
C24B	0.0234 (5)	0.0173 (5)	0.0183 (5)	−0.0012 (4)	−0.0029 (4)	−0.0025 (4)
C25B	0.0199 (5)	0.0212 (5)	0.0170 (5)	−0.0004 (4)	−0.0028 (4)	−0.0023 (4)
C26B	0.0231 (5)	0.0232 (5)	0.0227 (5)	−0.0052 (4)	0.0026 (4)	−0.0058 (4)
C27B	0.0261 (6)	0.0310 (7)	0.0332 (7)	0.0009 (5)	−0.0067 (5)	−0.0087 (5)
C28B	0.0295 (6)	0.0179 (5)	0.0236 (5)	−0.0053 (4)	−0.0022 (4)	−0.0042 (4)
C29B	0.0455 (8)	0.0233 (6)	0.0302 (7)	−0.0023 (5)	−0.0056 (6)	0.0021 (5)

Geometric parameters (Å, º)

Sn1A—O1A	2.0686 (9)	Sn1B—O1B	2.0639 (9)
Sn1A—C18A	2.1285 (11)	Sn1B—C18B	2.1240 (12)
Sn1A—C7A	2.1365 (13)	Sn1B—C6B	2.1301 (12)
Sn1A—C6A	2.1413 (12)	Sn1B—C7B	2.1362 (12)
O1A—C19A	1.3176 (15)	O1B—C19B	1.3166 (15)
O2A—C19A	1.2364 (15)	O2B—C19B	1.2397 (15)
N1A—C23A	1.3659 (16)	N1B—C23B	1.3652 (15)
N1A—C26A	1.4559 (17)	N1B—C28B	1.4612 (16)
N1A—C28A	1.4608 (18)	N1B—C26B	1.4620 (17)
C1A—C6A	1.3945 (18)	C1B—C2B	1.394 (2)
C1A—C2A	1.3972 (19)	C1B—C6B	1.3956 (18)
C1A—H1AA	0.9300	C1B—H1BA	0.9300
C2A—C3A	1.385 (2)	C2B—C3B	1.387 (2)
C2A—H2AA	0.9300	C2B—H2BA	0.9300
C3A—C4A	1.381 (2)	C3B—C4B	1.387 (2)
C3A—H3AA	0.9300	C3B—H3BA	0.9300
C4A—C5A	1.3909 (18)	C4B—C5B	1.3883 (19)
C4A—H4AA	0.9300	C4B—H4BA	0.9300
C5A—C6A	1.3974 (18)	C5B—C6B	1.3981 (17)
C5A—H5AA	0.9300	C5B—H5BA	0.9300
C7A—C12A	1.3954 (18)	C7B—C12B	1.3995 (18)
C7A—C8A	1.3969 (18)	C7B—C8B	1.4011 (17)
C8A—C9A	1.393 (2)	C8B—C9B	1.3911 (19)
C8A—H8AA	0.9300	C8B—H8BA	0.9300
C9A—C10A	1.383 (2)	C9B—C10B	1.383 (2)
C9A—H9AA	0.9300	C9B—H9BA	0.9300
C10A—C11A	1.388 (2)	C10B—C11B	1.389 (2)
C10A—H10A	0.9300	C10B—H10B	0.9300
C11A—C12A	1.389 (2)	C11B—C12B	1.3941 (19)
C11A—H11A	0.9300	C11B—H11B	0.9300
C12A—H12A	0.9300	C12B—H12B	0.9300
C13A—C14A	1.3904 (18)	C13B—C18B	1.3934 (17)
C13A—C18A	1.3988 (16)	C13B—C14B	1.3939 (19)
C13A—H13A	0.9300	C13B—H13B	0.9300
C14A—C15A	1.385 (2)	C14B—C15B	1.386 (2)
C14A—H14A	0.9300	C14B—H14B	0.9300
C15A—C16A	1.385 (2)	C15B—C16B	1.388 (2)
C15A—H15A	0.9300	C15B—H15B	0.9300
C16A—C17A	1.3947 (18)	C16B—C17B	1.3883 (19)
C16A—H16A	0.9300	C16B—H16B	0.9300
C17A—C18A	1.3990 (17)	C17B—C18B	1.3961 (18)
C17A—H17A	0.9300	C17B—H17B	0.9300
C19A—C20A	1.4676 (17)	C19B—C20B	1.4640 (16)
C20A—C21A	1.3986 (17)	C20B—C25B	1.3989 (17)
C20A—C25A	1.4017 (17)	C20B—C21B	1.4007 (17)
C21A—C22A	1.3798 (18)	C21B—C22B	1.3811 (17)
C21A—H21A	0.9300	C21B—H21B	0.9300
C22A—C23A	1.4183 (18)	C22B—C23B	1.4162 (16)
C22A—H22A	0.9300	C22B—H22B	0.9300
C23A—C24A	1.4160 (17)	C23B—C24B	1.4152 (17)
C24A—C25A	1.3785 (17)	C24B—C25B	1.3799 (17)
C24A—H24A	0.9300	C24B—H24B	0.9300
C25A—H25A	0.9300	C25B—H25B	0.9300
C26A—C27A	1.519 (2)	C26B—C27B	1.520 (2)
C26A—H26A	0.9700	C26B—H26C	0.9700
C26A—H26B	0.9700	C26B—H26D	0.9700
C27A—H27A	0.9600	C27B—H27D	0.9600
C27A—H27B	0.9600	C27B—H27E	0.9600
C27A—H27C	0.9600	C27B—H27F	0.9600
C28A—C29A	1.519 (2)	C28B—C29B	1.526 (2)
C28A—H28A	0.9700	C28B—H28C	0.9700
C28A—H28B	0.9700	C28B—H28D	0.9700
C29A—H29A	0.9600	C29B—H29D	0.9600
C29A—H29B	0.9600	C29B—H29E	0.9600
C29A—H29C	0.9600	C29B—H29F	0.9600
O1A—Sn1A—C18A	105.41 (4)	O1B—Sn1B—C18B	108.36 (4)
O1A—Sn1A—C7A	115.32 (4)	O1B—Sn1B—C6B	114.95 (4)
C18A—Sn1A—C7A	117.81 (4)	C18B—Sn1B—C6B	117.40 (5)
O1A—Sn1A—C6A	94.13 (4)	O1B—Sn1B—C7B	93.66 (4)
C18A—Sn1A—C6A	113.72 (5)	C18B—Sn1B—C7B	108.42 (5)
C7A—Sn1A—C6A	108.11 (5)	C6B—Sn1B—C7B	111.40 (5)
C19A—O1A—Sn1A	107.48 (7)	C19B—O1B—Sn1B	105.56 (8)
C23A—N1A—C26A	121.63 (11)	C23B—N1B—C28B	121.29 (11)
C23A—N1A—C28A	122.21 (11)	C23B—N1B—C26B	121.82 (10)
C26A—N1A—C28A	116.15 (11)	C28B—N1B—C26B	116.01 (10)
C6A—C1A—C2A	120.52 (13)	C2B—C1B—C6B	120.23 (13)
C6A—C1A—H1AA	119.7	C2B—C1B—H1BA	119.9
C2A—C1A—H1AA	119.7	C6B—C1B—H1BA	119.9
C3A—C2A—C1A	120.49 (13)	C3B—C2B—C1B	120.30 (14)
C3A—C2A—H2AA	119.8	C3B—C2B—H2BA	119.9
C1A—C2A—H2AA	119.8	C1B—C2B—H2BA	119.9
C4A—C3A—C2A	119.62 (12)	C2B—C3B—C4B	120.00 (13)
C4A—C3A—H3AA	120.2	C2B—C3B—H3BA	120.0
C2A—C3A—H3AA	120.2	C4B—C3B—H3BA	120.0
C3A—C4A—C5A	119.99 (13)	C3B—C4B—C5B	119.75 (13)
C3A—C4A—H4AA	120.0	C3B—C4B—H4BA	120.1
C5A—C4A—H4AA	120.0	C5B—C4B—H4BA	120.1
C4A—C5A—C6A	121.35 (12)	C4B—C5B—C6B	120.97 (12)
C4A—C5A—H5AA	119.3	C4B—C5B—H5BA	119.5
C6A—C5A—H5AA	119.3	C6B—C5B—H5BA	119.5
C1A—C6A—C5A	118.03 (11)	C1B—C6B—C5B	118.75 (12)
C1A—C6A—Sn1A	126.23 (9)	C1B—C6B—Sn1B	122.16 (9)
C5A—C6A—Sn1A	115.64 (9)	C5B—C6B—Sn1B	118.83 (9)
C12A—C7A—C8A	118.38 (12)	C12B—C7B—C8B	118.35 (11)
C12A—C7A—Sn1A	121.48 (10)	C12B—C7B—Sn1B	121.23 (9)
C8A—C7A—Sn1A	120.06 (9)	C8B—C7B—Sn1B	120.41 (9)
C9A—C8A—C7A	120.66 (13)	C9B—C8B—C7B	120.65 (12)
C9A—C8A—H8AA	119.7	C9B—C8B—H8BA	119.7
C7A—C8A—H8AA	119.7	C7B—C8B—H8BA	119.7
C10A—C9A—C8A	120.32 (14)	C10B—C9B—C8B	120.33 (12)
C10A—C9A—H9AA	119.8	C10B—C9B—H9BA	119.8
C8A—C9A—H9AA	119.8	C8B—C9B—H9BA	119.8
C9A—C10A—C11A	119.50 (14)	C9B—C10B—C11B	119.90 (12)
C9A—C10A—H10A	120.2	C9B—C10B—H10B	120.1
C11A—C10A—H10A	120.2	C11B—C10B—H10B	120.1
C10A—C11A—C12A	120.33 (14)	C10B—C11B—C12B	119.98 (13)
C10A—C11A—H11A	119.8	C10B—C11B—H11B	120.0
C12A—C11A—H11A	119.8	C12B—C11B—H11B	120.0
C11A—C12A—C7A	120.78 (14)	C11B—C12B—C7B	120.76 (12)
C11A—C12A—H12A	119.6	C11B—C12B—H12B	119.6
C7A—C12A—H12A	119.6	C7B—C12B—H12B	119.6
C14A—C13A—C18A	120.76 (12)	C18B—C13B—C14B	120.59 (12)
C14A—C13A—H13A	119.6	C18B—C13B—H13B	119.7
C18A—C13A—H13A	119.6	C14B—C13B—H13B	119.7
C15A—C14A—C13A	120.08 (12)	C15B—C14B—C13B	119.96 (13)
C15A—C14A—H14A	120.0	C15B—C14B—H14B	120.0
C13A—C14A—H14A	120.0	C13B—C14B—H14B	120.0
C14A—C15A—C16A	120.09 (12)	C14B—C15B—C16B	119.88 (13)
C14A—C15A—H15A	120.0	C14B—C15B—H15B	120.1
C16A—C15A—H15A	120.0	C16B—C15B—H15B	120.1
C15A—C16A—C17A	119.99 (12)	C15B—C16B—C17B	120.19 (13)
C15A—C16A—H16A	120.0	C15B—C16B—H16B	119.9
C17A—C16A—H16A	120.0	C17B—C16B—H16B	119.9
C16A—C17A—C18A	120.64 (12)	C16B—C17B—C18B	120.53 (12)
C16A—C17A—H17A	119.7	C16B—C17B—H17B	119.7
C18A—C17A—H17A	119.7	C18B—C17B—H17B	119.7
C13A—C18A—C17A	118.44 (11)	C13B—C18B—C17B	118.85 (11)
C13A—C18A—Sn1A	119.85 (9)	C13B—C18B—Sn1B	119.59 (9)
C17A—C18A—Sn1A	121.70 (8)	C17B—C18B—Sn1B	121.56 (9)
O2A—C19A—O1A	119.82 (11)	O2B—C19B—O1B	119.52 (11)
O2A—C19A—C20A	123.42 (11)	O2B—C19B—C20B	123.94 (11)
O1A—C19A—C20A	116.69 (10)	O1B—C19B—C20B	116.54 (11)
C21A—C20A—C25A	117.78 (11)	C25B—C20B—C21B	118.08 (11)
C21A—C20A—C19A	119.70 (11)	C25B—C20B—C19B	120.03 (11)
C25A—C20A—C19A	122.39 (10)	C21B—C20B—C19B	121.88 (11)
C22A—C21A—C20A	121.63 (11)	C22B—C21B—C20B	121.20 (11)
C22A—C21A—H21A	119.2	C22B—C21B—H21B	119.4
C20A—C21A—H21A	119.2	C20B—C21B—H21B	119.4
C21A—C22A—C23A	120.94 (11)	C21B—C22B—C23B	121.10 (11)
C21A—C22A—H22A	119.5	C21B—C22B—H22B	119.5
C23A—C22A—H22A	119.5	C23B—C22B—H22B	119.5
N1A—C23A—C24A	121.28 (11)	N1B—C23B—C24B	121.25 (11)
N1A—C23A—C22A	121.70 (11)	N1B—C23B—C22B	121.56 (11)
C24A—C23A—C22A	117.02 (11)	C24B—C23B—C22B	117.19 (10)
C25A—C24A—C23A	121.23 (11)	C25B—C24B—C23B	121.05 (11)
C25A—C24A—H24A	119.4	C25B—C24B—H24B	119.5
C23A—C24A—H24A	119.4	C23B—C24B—H24B	119.5
C24A—C25A—C20A	121.39 (11)	C24B—C25B—C20B	121.38 (11)
C24A—C25A—H25A	119.3	C24B—C25B—H25B	119.3
C20A—C25A—H25A	119.3	C20B—C25B—H25B	119.3
N1A—C26A—C27A	112.17 (12)	N1B—C26B—C27B	112.69 (11)
N1A—C26A—H26A	109.2	N1B—C26B—H26C	109.1
C27A—C26A—H26A	109.2	C27B—C26B—H26C	109.1
N1A—C26A—H26B	109.2	N1B—C26B—H26D	109.1
C27A—C26A—H26B	109.2	C27B—C26B—H26D	109.1
H26A—C26A—H26B	107.9	H26C—C26B—H26D	107.8
C26A—C27A—H27A	109.5	C26B—C27B—H27D	109.5
C26A—C27A—H27B	109.5	C26B—C27B—H27E	109.5
H27A—C27A—H27B	109.5	H27D—C27B—H27E	109.5
C26A—C27A—H27C	109.5	C26B—C27B—H27F	109.5
H27A—C27A—H27C	109.5	H27D—C27B—H27F	109.5
H27B—C27A—H27C	109.5	H27E—C27B—H27F	109.5
N1A—C28A—C29A	112.99 (11)	N1B—C28B—C29B	113.27 (11)
N1A—C28A—H28A	109.0	N1B—C28B—H28C	108.9
C29A—C28A—H28A	109.0	C29B—C28B—H28C	108.9
N1A—C28A—H28B	109.0	N1B—C28B—H28D	108.9
C29A—C28A—H28B	109.0	C29B—C28B—H28D	108.9
H28A—C28A—H28B	107.8	H28C—C28B—H28D	107.7
C28A—C29A—H29A	109.5	C28B—C29B—H29D	109.5
C28A—C29A—H29B	109.5	C28B—C29B—H29E	109.5
H29A—C29A—H29B	109.5	H29D—C29B—H29E	109.5
C28A—C29A—H29C	109.5	C28B—C29B—H29F	109.5
H29A—C29A—H29C	109.5	H29D—C29B—H29F	109.5
H29B—C29A—H29C	109.5	H29E—C29B—H29F	109.5
C18A—Sn1A—O1A—C19A	66.58 (8)	C18B—Sn1B—O1B—C19B	70.76 (8)
C7A—Sn1A—O1A—C19A	−65.16 (9)	C6B—Sn1B—O1B—C19B	−62.80 (8)
C6A—Sn1A—O1A—C19A	−177.42 (8)	C7B—Sn1B—O1B—C19B	−178.46 (8)
C6A—C1A—C2A—C3A	−0.3 (2)	C6B—C1B—C2B—C3B	0.6 (2)
C1A—C2A—C3A—C4A	−0.1 (2)	C1B—C2B—C3B—C4B	0.1 (3)
C2A—C3A—C4A—C5A	0.3 (2)	C2B—C3B—C4B—C5B	−0.7 (2)
C3A—C4A—C5A—C6A	−0.1 (2)	C3B—C4B—C5B—C6B	0.7 (2)
C2A—C1A—C6A—C5A	0.5 (2)	C2B—C1B—C6B—C5B	−0.5 (2)
C2A—C1A—C6A—Sn1A	176.52 (11)	C2B—C1B—C6B—Sn1B	173.59 (12)
C4A—C5A—C6A—C1A	−0.30 (19)	C4B—C5B—C6B—C1B	−0.12 (19)
C4A—C5A—C6A—Sn1A	−176.75 (10)	C4B—C5B—C6B—Sn1B	−174.43 (10)
O1A—Sn1A—C6A—C1A	−98.41 (11)	O1B—Sn1B—C6B—C1B	76.24 (11)
C18A—Sn1A—C6A—C1A	10.41 (13)	C18B—Sn1B—C6B—C1B	−52.98 (12)
C7A—Sn1A—C6A—C1A	143.25 (11)	C7B—Sn1B—C6B—C1B	−178.81 (10)
O1A—Sn1A—C6A—C5A	77.70 (10)	O1B—Sn1B—C6B—C5B	−109.64 (10)
C18A—Sn1A—C6A—C5A	−173.47 (9)	C18B—Sn1B—C6B—C5B	121.13 (9)
C7A—Sn1A—C6A—C5A	−40.64 (10)	C7B—Sn1B—C6B—C5B	−4.70 (11)
O1A—Sn1A—C7A—C12A	67.85 (12)	O1B—Sn1B—C7B—C12B	5.88 (11)
C18A—Sn1A—C7A—C12A	−57.73 (12)	C18B—Sn1B—C7B—C12B	116.61 (10)
C6A—Sn1A—C7A—C12A	171.65 (11)	C6B—Sn1B—C7B—C12B	−112.74 (10)
O1A—Sn1A—C7A—C8A	−115.53 (10)	O1B—Sn1B—C7B—C8B	−172.72 (10)
C18A—Sn1A—C7A—C8A	118.89 (10)	C18B—Sn1B—C7B—C8B	−61.99 (11)
C6A—Sn1A—C7A—C8A	−11.73 (11)	C6B—Sn1B—C7B—C8B	68.66 (11)
C12A—C7A—C8A—C9A	−1.3 (2)	C12B—C7B—C8B—C9B	1.25 (19)
Sn1A—C7A—C8A—C9A	−178.07 (11)	Sn1B—C7B—C8B—C9B	179.89 (10)
C7A—C8A—C9A—C10A	0.1 (2)	C7B—C8B—C9B—C10B	0.2 (2)
C8A—C9A—C10A—C11A	1.2 (2)	C8B—C9B—C10B—C11B	−1.1 (2)
C9A—C10A—C11A—C12A	−1.3 (3)	C9B—C10B—C11B—C12B	0.5 (2)
C10A—C11A—C12A—C7A	0.0 (2)	C10B—C11B—C12B—C7B	1.0 (2)
C8A—C7A—C12A—C11A	1.3 (2)	C8B—C7B—C12B—C11B	−1.87 (19)
Sn1A—C7A—C12A—C11A	178.01 (12)	Sn1B—C7B—C12B—C11B	179.50 (10)
C18A—C13A—C14A—C15A	−0.6 (2)	C18B—C13B—C14B—C15B	−0.4 (2)
C13A—C14A—C15A—C16A	0.6 (2)	C13B—C14B—C15B—C16B	0.5 (3)
C14A—C15A—C16A—C17A	−0.1 (2)	C14B—C15B—C16B—C17B	−0.4 (3)
C15A—C16A—C17A—C18A	−0.3 (2)	C15B—C16B—C17B—C18B	0.2 (2)
C14A—C13A—C18A—C17A	0.27 (19)	C14B—C13B—C18B—C17B	0.1 (2)
C14A—C13A—C18A—Sn1A	178.79 (10)	C14B—C13B—C18B—Sn1B	179.75 (11)
C16A—C17A—C18A—C13A	0.18 (19)	C16B—C17B—C18B—C13B	0.0 (2)
C16A—C17A—C18A—Sn1A	−178.31 (10)	C16B—C17B—C18B—Sn1B	−179.65 (11)
O1A—Sn1A—C18A—C13A	124.31 (10)	O1B—Sn1B—C18B—C13B	93.73 (10)
C7A—Sn1A—C18A—C13A	−105.38 (10)	C6B—Sn1B—C18B—C13B	−134.00 (10)
C6A—Sn1A—C18A—C13A	22.61 (11)	C7B—Sn1B—C18B—C13B	−6.72 (11)
O1A—Sn1A—C18A—C17A	−57.22 (11)	O1B—Sn1B—C18B—C17B	−86.62 (11)
C7A—Sn1A—C18A—C17A	73.09 (11)	C6B—Sn1B—C18B—C17B	45.65 (12)
C6A—Sn1A—C18A—C17A	−158.92 (10)	C7B—Sn1B—C18B—C17B	172.93 (10)
Sn1A—O1A—C19A—O2A	11.67 (13)	Sn1B—O1B—C19B—O2B	1.75 (13)
Sn1A—O1A—C19A—C20A	−165.51 (8)	Sn1B—O1B—C19B—C20B	−178.03 (8)
O2A—C19A—C20A—C21A	−5.14 (17)	O2B—C19B—C20B—C25B	9.57 (18)
O1A—C19A—C20A—C21A	171.93 (11)	O1B—C19B—C20B—C25B	−170.66 (11)
O2A—C19A—C20A—C25A	178.96 (11)	O2B—C19B—C20B—C21B	−169.39 (12)
O1A—C19A—C20A—C25A	−3.97 (16)	O1B—C19B—C20B—C21B	10.37 (16)
C25A—C20A—C21A—C22A	0.25 (17)	C25B—C20B—C21B—C22B	−0.71 (17)
C19A—C20A—C21A—C22A	−175.83 (11)	C19B—C20B—C21B—C22B	178.28 (11)
C20A—C21A—C22A—C23A	−1.15 (18)	C20B—C21B—C22B—C23B	−0.02 (18)
C26A—N1A—C23A—C24A	−175.31 (12)	C28B—N1B—C23B—C24B	8.88 (17)
C28A—N1A—C23A—C24A	3.34 (17)	C26B—N1B—C23B—C24B	177.71 (11)
C26A—N1A—C23A—C22A	3.85 (18)	C28B—N1B—C23B—C22B	−171.06 (11)
C28A—N1A—C23A—C22A	−177.50 (11)	C26B—N1B—C23B—C22B	−2.23 (17)
C21A—C22A—C23A—N1A	−178.06 (11)	C21B—C22B—C23B—N1B	−179.20 (11)
C21A—C22A—C23A—C24A	1.13 (17)	C21B—C22B—C23B—C24B	0.86 (17)
N1A—C23A—C24A—C25A	178.93 (11)	N1B—C23B—C24B—C25B	179.08 (11)
C22A—C23A—C24A—C25A	−0.26 (17)	C22B—C23B—C24B—C25B	−0.98 (17)
C23A—C24A—C25A—C20A	−0.62 (17)	C23B—C24B—C25B—C20B	0.27 (18)
C21A—C20A—C25A—C24A	0.63 (17)	C21B—C20B—C25B—C24B	0.59 (17)
C19A—C20A—C25A—C24A	176.60 (11)	C19B—C20B—C25B—C24B	−178.42 (11)
C23A—N1A—C26A—C27A	−89.89 (17)	C23B—N1B—C26B—C27B	−82.00 (14)
C28A—N1A—C26A—C27A	91.38 (16)	C28B—N1B—C26B—C27B	87.39 (14)
C23A—N1A—C28A—C29A	−86.75 (15)	C23B—N1B—C28B—C29B	−86.42 (15)
C26A—N1A—C28A—C29A	91.97 (15)	C26B—N1B—C28B—C29B	104.13 (14)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C4A—H4AA···O1A^i	0.93	2.55	3.239 (2)	132
C1B—H1BA···O2B	0.93	2.52	3.121 (2)	123
C12A—H12A···O2A	0.93	2.43	3.080 (2)	127
C12B—H12B···O1B	0.93	2.55	3.120 (2)	120
C17A—H17A···O2A	0.93	2.35	3.082 (2)	135
C8A—H8AA···Cg1^ii	0.93	3.15	3.795 (2)	128
C10A—H10A···Cg2^ii	0.93	3.06	3.462 (2)	108
C4B—H4BA···Cg3^ii	0.93	2.85	3.567 (2)	135
C9B—H9BA···Cg4^ii	0.93	2.59	3.327 (1)	137
C15A—H15A···Cg5^iii	0.93	2.85	3.661 (1)	146
C22A—H22A···Cg6^iv	0.93	3.13	3.653 (1)	118
C26B—H26C···Cg2^iv	0.97	2.88	3.723 (1)	146
C29A—H29A···Cg4^v	0.96	2.87	3.799 (2)	162

Symmetry codes: (i) −x+1, −y, −z; (ii) −x, −y, −z+1; (iii) x−1, y, z; (iv) −x+1, −y+1, −z+1; (v) −x+1, −y+1, −z.