(3,5-Dimethyl­pyridine)bis­(tri-tert-butoxysilanethiol­ato)zinc(II)

The title compound, [Zn(C₁₂H₂₇O₃SSi)₂(C₇H₉N)], is a mol­ecular zinc thiol­ate containing, as an additional ligand, 3,5-dimethyl­pyridine. The Zn^II ion coordination is distorted trigonal-bipyramidal, formed by two S, two O and one N atom, with the Zn atom lying on a twofold rotation axis. Mol­ecules pack as discrete units, with no inter­molecular contacts shorter than those arising from van der Waals forces.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.038
• wR factor = 0.097
• Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  C7     ..  C7      ..       3.04 Ang.

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          1
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          9

   0 ALERT level A = In general: serious problem
   1 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
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: X-AREA (Stoe & Cie, 1997); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 1997); 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 and PLATON (Spek, 2003).

(3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)zinc(II)

Crystal data

[Zn(C12H27O3SSi)2(C7H9N)]	F(000) = 1576
Mr = 731.53	Dx = 1.195 Mg m^−3
Monoclinic, C2/c	Melting point = 166–173 K
Hall symbol: -C 2yc	Mo Kα radiation, λ = 0.71073 Å
a = 14.542 (3) Å	Cell parameters from 13393 reflections
b = 12.806 (3) Å	θ = 1.9–26.0°
c = 22.265 (4) Å	µ = 0.80 mm^−1
β = 101.39 (3)°	T = 150 K
V = 4064.6 (15) Å^3	Plate, colourless
Z = 4	0.4 × 0.4 × 0.2 mm

Data collection

Stoe IPDS-2 diffractometer	3845 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus	3585 reflections with I > 2σ(I)
Plane graphite monochromator	Rint = 0.035
Detector resolution: 6.67 pixels mm^-1	θmax = 26.0°, θmin = 2.7°
rotation method scans	h = −13→17
Absorption correction: integration (X-RED; Stoe & Cie, 1997)	k = −13→15
Tmin = 0.484, Tmax = 0.657	l = −27→27
8313 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)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.097	H-atom parameters constrained
S = 1.08	w = 1/[σ^2(Fo^2) + (0.0421P)^2 + 5.0297P] where P = (Fo^2 + 2Fc^2)/3
3845 reflections	(Δ/σ)max < 0.001
236 parameters	Δρmax = 0.47 e Å^−3
12 restraints	Δρmin = −0.43 e Å^−3

Special details

Experimental. 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 > 2sigma(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.

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

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	Occ. (<1)
Zn1	0.0000	0.67630 (3)	0.2500	0.04042 (14)
S1	0.14386 (4)	0.73722 (5)	0.24651 (3)	0.03861 (16)
Si1	0.11141 (4)	0.72918 (5)	0.15135 (3)	0.03275 (16)
O1	−0.00095 (11)	0.69965 (12)	0.13664 (7)	0.0360 (3)
O3	0.13505 (12)	0.83426 (12)	0.11677 (8)	0.0393 (4)
O2	0.16102 (12)	0.63396 (13)	0.12136 (7)	0.0412 (4)
N1	0.0000	0.5146 (2)	0.2500	0.0415 (6)
C1	−0.06363 (18)	0.6719 (2)	0.07922 (11)	0.0438 (6)
C2	−0.1605 (2)	0.7072 (3)	0.08582 (14)	0.0606 (8)
H2A	−0.1610	0.7832	0.0904	0.091*
H2B	−0.1769	0.6743	0.1221	0.091*
H2C	−0.2063	0.6868	0.0493	0.091*
C3	−0.0340 (2)	0.7255 (3)	0.02523 (13)	0.0722 (10)
H3D	0.0293	0.7028	0.0224	0.108*
H3E	−0.0344	0.8014	0.0311	0.108*
H3F	−0.0779	0.7071	−0.0126	0.108*
C4	−0.0607 (2)	0.5541 (2)	0.07226 (14)	0.0625 (8)
H4A	0.0035	0.5322	0.0708	0.094*
H4B	−0.1030	0.5332	0.0343	0.094*
H4C	−0.0805	0.5207	0.1072	0.094*
C5	0.2555 (2)	0.6168 (2)	0.11478 (12)	0.0556 (7)
C6	0.3250 (3)	0.6638 (4)	0.1613 (3)	0.075 (2)	0.604 (5)
H6A	0.3086	0.7370	0.1663	0.113*	0.604 (5)
H6B	0.3863	0.6600	0.1494	0.113*	0.604 (5)
H6C	0.3277	0.6266	0.2001	0.113*	0.604 (5)
C7	0.2511 (4)	0.6716 (4)	0.0513 (2)	0.0743 (18)	0.604 (5)
H7A	0.2354	0.7455	0.0546	0.111*	0.604 (5)
H7B	0.2030	0.6379	0.0203	0.111*	0.604 (5)
H7C	0.3122	0.6657	0.0393	0.111*	0.604 (5)
C8	0.2633 (4)	0.5028 (3)	0.1035 (3)	0.0718 (19)	0.604 (5)
H8A	0.2093	0.4800	0.0726	0.108*	0.604 (5)
H8B	0.2645	0.4644	0.1417	0.108*	0.604 (5)
H8C	0.3213	0.4890	0.0886	0.108*	0.604 (5)
C6A	0.2986 (5)	0.5540 (5)	0.1756 (2)	0.055 (2)	0.396 (5)
H6AA	0.2622	0.4901	0.1776	0.082*	0.396 (5)
H6AB	0.2962	0.5976	0.2115	0.082*	0.396 (5)
H6AC	0.3640	0.5356	0.1753	0.082*	0.396 (5)
C7A	0.3198 (4)	0.7142 (4)	0.1204 (3)	0.0548 (19)	0.396 (5)
H7AA	0.2979	0.7611	0.0858	0.082*	0.396 (5)
H7AB	0.3844	0.6924	0.1202	0.082*	0.396 (5)
H7AC	0.3179	0.7507	0.1588	0.082*	0.396 (5)
C8A	0.2715 (4)	0.5548 (3)	0.0628 (2)	0.062 (2)	0.396 (5)
H8AA	0.2479	0.5928	0.0247	0.093*	0.396 (5)
H8AB	0.2385	0.4880	0.0621	0.093*	0.396 (5)
H8AC	0.3389	0.5420	0.0667	0.093*	0.396 (5)
C13	0.05010 (18)	0.46056 (18)	0.21591 (11)	0.0436 (5)
H13A	0.0869	0.4981	0.1924	0.065*
C14	0.05048 (19)	0.35308 (19)	0.21356 (12)	0.0462 (6)
C15	0.1043 (2)	0.2980 (2)	0.17163 (16)	0.0631 (8)
H15A	0.1545	0.2561	0.1961	0.095*
H15B	0.1317	0.3498	0.1479	0.095*
H15C	0.0618	0.2523	0.1436	0.095*
C16	0.0000	0.3009 (3)	0.2500	0.0490 (9)
H16A	0.0000	0.2267	0.2500	0.073*
C9	0.13302 (19)	0.94408 (19)	0.13176 (13)	0.0473 (6)
C10	0.0473 (2)	0.9685 (2)	0.15882 (19)	0.0708 (9)
H10A	−0.0096	0.9493	0.1294	0.106*
H10B	0.0459	1.0434	0.1677	0.106*
H10C	0.0503	0.9287	0.1967	0.106*
C11	0.2225 (2)	0.9708 (2)	0.17597 (15)	0.0614 (8)
H11A	0.2764	0.9500	0.1584	0.092*
H11B	0.2243	0.9335	0.2146	0.092*
H11C	0.2248	1.0462	0.1836	0.092*
C12	0.1298 (3)	1.0006 (2)	0.07140 (16)	0.0686 (9)
H12A	0.1844	0.9804	0.0543	0.103*
H12B	0.1309	1.0762	0.0784	0.103*
H12C	0.0722	0.9816	0.0426	0.103*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0380 (2)	0.0271 (2)	0.0571 (3)	0.000	0.01153 (17)	0.000
S1	0.0358 (3)	0.0431 (3)	0.0348 (3)	−0.0044 (2)	0.0015 (2)	−0.0022 (2)
Si1	0.0328 (3)	0.0300 (3)	0.0342 (3)	0.0007 (2)	0.0036 (2)	0.0008 (2)
O1	0.0345 (8)	0.0365 (8)	0.0340 (8)	−0.0038 (7)	−0.0007 (6)	0.0025 (6)
O3	0.0409 (9)	0.0322 (8)	0.0459 (9)	−0.0014 (7)	0.0109 (7)	0.0026 (7)
O2	0.0430 (9)	0.0367 (8)	0.0417 (9)	0.0055 (7)	0.0034 (7)	−0.0040 (7)
N1	0.0512 (17)	0.0266 (13)	0.0437 (15)	0.000	0.0018 (13)	0.000
C1	0.0427 (13)	0.0496 (14)	0.0340 (11)	−0.0095 (11)	−0.0050 (10)	0.0051 (10)
C2	0.0426 (14)	0.0727 (19)	0.0585 (17)	−0.0018 (14)	−0.0093 (12)	0.0047 (15)
C3	0.068 (2)	0.104 (3)	0.0380 (14)	−0.0275 (19)	−0.0068 (13)	0.0219 (16)
C4	0.071 (2)	0.0571 (17)	0.0512 (16)	−0.0105 (15)	−0.0088 (14)	−0.0110 (14)
C5	0.0518 (16)	0.0534 (16)	0.0680 (18)	0.0014 (13)	0.0277 (14)	−0.0154 (14)
C6	0.039 (3)	0.085 (4)	0.097 (5)	0.004 (3)	0.003 (3)	−0.048 (4)
C7	0.073 (4)	0.078 (4)	0.082 (4)	−0.003 (3)	0.040 (3)	−0.017 (3)
C8	0.052 (3)	0.062 (3)	0.100 (5)	0.017 (3)	0.009 (3)	−0.035 (3)
C6A	0.050 (4)	0.072 (5)	0.046 (4)	0.025 (4)	0.019 (3)	0.007 (3)
C7A	0.035 (3)	0.070 (5)	0.059 (5)	0.006 (3)	0.011 (3)	0.005 (4)
C8A	0.068 (5)	0.076 (6)	0.041 (4)	0.028 (4)	0.010 (3)	−0.009 (4)
C13	0.0484 (14)	0.0339 (12)	0.0454 (13)	0.0040 (10)	0.0018 (11)	0.0001 (10)
C14	0.0513 (14)	0.0337 (12)	0.0465 (13)	0.0061 (11)	−0.0075 (11)	−0.0054 (10)
C15	0.069 (2)	0.0431 (15)	0.073 (2)	0.0094 (14)	0.0049 (16)	−0.0126 (14)
C16	0.059 (2)	0.0272 (16)	0.050 (2)	0.000	−0.0134 (17)	0.000
C9	0.0492 (14)	0.0297 (11)	0.0658 (16)	−0.0011 (10)	0.0183 (12)	0.0059 (11)
C10	0.0617 (19)	0.0407 (15)	0.118 (3)	0.0101 (14)	0.0370 (19)	0.0028 (17)
C11	0.0647 (18)	0.0467 (15)	0.074 (2)	−0.0181 (14)	0.0155 (15)	−0.0046 (14)
C12	0.077 (2)	0.0483 (16)	0.079 (2)	−0.0048 (15)	0.0106 (17)	0.0213 (15)

Geometric parameters (Å, º)

Zn1—S1	2.2484 (8)	C4—H4B	0.9793
Zn1—N1	2.071 (3)	C4—H4C	0.9795
Zn1—S1^i	2.2484 (8)	C6—H6A	0.9790
S1—Si1	2.0803 (10)	C6—H6B	0.9800
Si1—O1	1.6458 (18)	C6—H6C	0.9805
Si1—O2	1.6259 (18)	C6A—H6AC	0.9811
Si1—O3	1.6206 (18)	C6A—H6AA	0.9804
O1—C1	1.460 (3)	C6A—H6AB	0.9813
O2—C5	1.427 (3)	C7—H7B	0.9804
O3—C9	1.447 (3)	C7—H7A	0.9797
N1—C13	1.3432	C7—H7C	0.9800
N1—C13^i	1.3432	C7A—H7AC	0.9796
C1—C2	1.514 (4)	C7A—H7AA	0.9791
C1—C3	1.519 (4)	C7A—H7AB	0.9809
C1—C4	1.518 (4)	C8—H8B	0.9796
C5—C6	1.429 (6)	C8—H8A	0.9807
C5—C7	1.568 (5)	C8—H8C	0.9814
C5—C8	1.489 (5)	C8A—H8AA	0.9794
C5—C6A	1.593 (6)	C8A—H8AB	0.9795
C5—C7A	1.549 (6)	C8A—H8AC	0.9805
C5—C8A	1.460 (5)	C10—H10B	0.9804
C9—C10	1.520 (4)	C10—H10C	0.9790
C9—C11	1.508 (4)	C10—H10A	0.9799
C9—C12	1.519 (4)	C11—H11B	0.9797
C13—C14	1.3774	C11—H11C	0.9798
C14—C15	1.507 (4)	C11—H11A	0.9795
C14—C16	1.371 (3)	C12—H12C	0.9797
C2—H2A	0.9788	C12—H12B	0.9802
C2—H2B	0.9813	C12—H12A	0.9807
C2—H2C	0.9793	C13—H13A	0.9498
C3—H3D	0.9791	C15—H15A	0.9801
C3—H3E	0.9809	C15—H15B	0.9804
C3—H3F	0.9799	C15—H15C	0.9806
C4—H4A	0.9815	C16—H16A	0.9502
Zn1···C1	3.732 (3)	H6AC···C10^vii	2.8921
Zn1···C2	3.949 (3)	H6AC···H7AB	2.4018
Zn1···C2^i	3.949 (3)	H6AC···H8AC	2.3744
Zn1···C1^i	3.732 (3)	H3D···O2	2.7630
Zn1···H10C	3.5684	H3D···Si1	2.9033
Zn1···H2B	3.4401	H3D···O3	2.8875
Zn1···H2B^i	3.4401	H3D···H4A	2.4969
Zn1···H10C^i	3.5684	H3E···Si1	3.2058
S1···N1	3.546 (2)	H3E···O3	2.8339
S1···C6	3.660 (5)	H3E···H2A	2.4793
S1···C10	3.671 (3)	H3F···H2C	2.5436
S1···C11	3.665 (3)	H3F···H4B	2.5167
S1···H10C	2.9151	H7AA···H8AA	2.5756
S1···H11B	2.9188	H7AA···Si1	3.3489
S1···H6AB	3.0650	H7AA···O3	2.7580
S1···H2B^i	2.9804	H4A···Si1	3.3061
S1···H15A^ii	2.9681	H4A···O2	2.6822
Si1···C13	3.8988	H4A···H3D	2.4969
Si1···H3D	2.9033	H4B···H3F	2.5167
Si1···H3E	3.2058	H4B···H2C	2.5368
Si1···H4A	3.3061	H4B···H8A^ix	2.5749
Si1···H6A	2.8225	H4C···C13	2.8710
Si1···H6C	3.3835	H4C···H2B	2.4755
Si1···H7A	3.0772	H7AB···H6AC	2.4018
Si1···H10A	3.3078	H7AB···H8AC	2.2924
Si1···H10C	2.9482	H7AC···Si1	2.9872
Si1···H11B	3.2575	H7AC···O3	2.8475
Si1···H13A	3.1381	H7AC···H6AB	2.3381
Si1···H6AB	3.2299	H7AC···C16^iii	3.0700
Si1···H7AA	3.3489	H7AC···C16^ii	3.0700
Si1···H7AC	2.9872	H6A···Si1	2.8225
O2···C3	3.406 (4)	H6A···O3	2.8351
O2···C4	3.353 (4)	H6A···H7A	2.5069
O3···C3	3.187 (4)	H6B···H7C	2.4764
O3···C7	3.207 (6)	H6B···C16^iii	3.0893
O3···C7A	3.083 (6)	H6B···C16^ii	3.0893
O2···H3D	2.7630	H6C···Si1	3.3835
O2···H4A	2.6822	H6C···H8B	2.5254
O2···H13A	2.7137	H8AA···H12A^v	2.3719
O3···H3D	2.8875	H8AA···H7AA	2.5756
O3···H6A	2.8351	H7A···H6A	2.5069
O3···H7A	2.4770	H7A···C7^v	2.6283
O3···H3E	2.8339	H7A···H7B^v	2.5304
O3···H7AA	2.7580	H7A···H7C^v	2.3604
O3···H7AC	2.8475	H7A···H7A^v	2.5520
N1···S1	3.546 (2)	H7A···Si1	3.0772
N1···S1^i	3.546 (2)	H7A···O3	2.4770
C1···Zn1	3.732 (3)	H7B···H7A^v	2.5304
C2···Zn1	3.949 (3)	H7B···H8A	2.3262
C3···O2	3.406 (4)	H7B···C7^v	3.0592
C3···O3	3.187 (4)	H7C···H6B	2.4764
C4···O2	3.353 (4)	H7C···H7A^v	2.3604
C4···C13	3.4964	H7C···H8C	2.5071
C6···S1	3.660 (5)	H7C···C7^v	2.9196
C6···C16^iii	3.387 (6)	H8AB···H6AA	2.5264
C6···C16^ii	3.387 (6)	H8A···H7B	2.3262
C6A···C11^iv	3.543 (6)	H8A···H4B^ix	2.5749
C7···O3	3.207 (6)	H8B···H15B	2.4510
C7···C7^v	3.037 (7)	H8B···H6C	2.5254
C7A···O3	3.083 (6)	H8C···H7C	2.5071
C10···S1	3.671 (3)	H8C···H10A^vii	2.4997
C11···C6A^ii	3.543 (6)	H8AC···H6AC	2.3744
C11···S1	3.665 (3)	H8AC···H7AB	2.2924
C13···Si1	3.8988	H10A···H6AC^viii	2.5271
C13···C4	3.4964	H10A···H8C^viii	2.4997
C16···C6^vi	3.387 (6)	H10A···Si1	3.3078
C16···C6^iv	3.387 (6)	H10A···H12C	2.4958
C6···H16A^iii	3.0067	H10B···H11C	2.5556
C6···H16A^ii	3.0067	H10B···H12B	2.5745
C6A···H11B^iv	2.9648	H10C···Zn1	3.5684
C7···H7C^v	2.9196	H10C···H11B	2.4833
C7···H7A^v	2.6283	H10C···S1	2.9151
C7···H7B^v	3.0592	H10C···Si1	2.9482
C8···H15B	3.0374	H11A···H12A	2.4676
C8···H2A^vii	3.0549	H11B···H10C	2.4833
C8A···H12A^v	2.8412	H11B···S1	2.9188
C10···H6AC^viii	2.8921	H11B···Si1	3.2575
C11···H6AB^ii	3.0426	H11B···C6A^ii	2.9648
C13···H4C	2.8710	H11B···H6AA^ii	2.4776
C16···H6B^iv	3.0893	H11C···H6AB^ii	2.5027
C16···H6B^vi	3.0893	H11C···H10B	2.5556
C16···H7AC^iv	3.0700	H11C···H12B	2.4970
C16···H7AC^vi	3.0700	H12A···H8AA^v	2.3719
H6AA···H11B^iv	2.4776	H12A···H11A	2.4676
H6AA···H8AB	2.5264	H12A···C8A^v	2.8412
H6AB···H7AC	2.3381	H12B···H10B	2.5745
H6AB···Si1	3.2299	H12B···H11C	2.4970
H6AB···S1	3.0650	H12C···H12C^x	2.5801
H6AB···C11^iv	3.0426	H12C···H10A	2.4958
H6AB···H11C^iv	2.5027	H13A···H15B	2.2952
H2A···C8^viii	3.0549	H13A···Si1	3.1381
H2A···H3E	2.4793	H13A···O2	2.7137
H2B···H4C	2.4755	H15A···S1^iv	2.9681
H2B···S1^i	2.9804	H15B···H13A	2.2952
H2B···Zn1	3.4401	H15B···C8	3.0374
H2C···H4B	2.5368	H15B···H8B	2.4510
H2C···H3F	2.5436	H16A···C6^iv	3.0067
H6AC···H10A^vii	2.5271	H16A···C6^vi	3.0067
S1—Zn1—N1	110.30 (4)	C5—C6—H6B	109.51
S1—Zn1—S1^i	139.40 (4)	C5—C6—H6C	109.48
S1^i—Zn1—N1	110.30 (4)	H6A—C6—H6B	109.47
Zn1—S1—Si1	89.57 (4)	H6A—C6—H6C	109.47
S1—Si1—O1	103.34 (7)	H6B—C6—H6C	109.50
S1—Si1—O2	115.19 (7)	H6AB—C6A—H6AC	109.43
S1—Si1—O3	114.59 (8)	C5—C6A—H6AC	109.55
O1—Si1—O2	104.45 (9)	C5—C6A—H6AA	109.55
O1—Si1—O3	113.06 (10)	C5—C6A—H6AB	109.50
O2—Si1—O3	105.94 (10)	H6AA—C6A—H6AB	109.36
Si1—O1—C1	130.83 (15)	H6AA—C6A—H6AC	109.43
Si1—O2—C5	132.21 (16)	C5—C7—H7B	109.51
Si1—O3—C9	132.96 (17)	C5—C7—H7A	109.47
Zn1—N1—C13	121.01	H7A—C7—H7C	109.40
Zn1—N1—C13^i	121.01	C5—C7—H7C	109.48
C13—N1—C13^i	117.98	H7A—C7—H7B	109.49
O1—C1—C2	105.9 (2)	H7B—C7—H7C	109.47
O1—C1—C3	110.9 (2)	C5—C7A—H7AA	109.45
O1—C1—C4	107.8 (2)	H7AB—C7A—H7AC	109.38
C2—C1—C3	110.9 (2)	C5—C7A—H7AC	109.52
C2—C1—C4	110.6 (2)	H7AA—C7A—H7AB	109.51
C3—C1—C4	110.5 (2)	C5—C7A—H7AB	109.50
O2—C5—C6	114.7 (3)	H7AA—C7A—H7AC	109.46
O2—C5—C7	98.9 (3)	C5—C8—H8B	109.54
O2—C5—C8	106.0 (3)	C5—C8—H8C	109.43
O2—C5—C6A	102.5 (3)	C5—C8—H8A	109.45
O2—C5—C7A	116.5 (3)	H8B—C8—H8C	109.51
O2—C5—C8A	118.2 (3)	H8A—C8—H8B	109.52
C6—C5—C7	111.2 (3)	H8A—C8—H8C	109.38
C6—C5—C8	117.9 (4)	C5—C8A—H8AA	109.45
C7—C5—C8	106.1 (3)	C5—C8A—H8AB	109.47
C6A—C5—C7A	102.0 (4)	C5—C8A—H8AC	109.50
C6A—C5—C8A	107.6 (3)	H8AA—C8A—H8AB	109.47
C7A—C5—C8A	108.3 (4)	H8AB—C8A—H8AC	109.48
O3—C9—C10	110.3 (2)	H8AA—C8A—H8AC	109.45
O3—C9—C11	108.5 (2)	C9—C10—H10B	109.42
O3—C9—C12	104.9 (2)	C9—C10—H10A	109.49
C10—C9—C11	111.4 (3)	H10A—C10—H10C	109.47
C10—C9—C12	111.6 (3)	C9—C10—H10C	109.50
C11—C9—C12	110.0 (3)	H10A—C10—H10B	109.38
N1—C13—C14	122.89	H10B—C10—H10C	109.56
C13—C14—C15	119.85	C9—C11—H11B	109.42
C13—C14—C16	117.26	C9—C11—H11C	109.41
C15—C14—C16	122.9 (2)	H11A—C11—H11C	109.55
C14—C16—C14^i	121.7 (3)	H11B—C11—H11C	109.52
C1—C2—H2A	109.46	H11A—C11—H11B	109.47
C1—C2—H2B	109.50	C9—C11—H11A	109.45
C1—C2—H2C	109.45	H12A—C12—H12B	109.46
H2A—C2—H2B	109.46	H12A—C12—H12C	109.48
H2A—C2—H2C	109.51	H12B—C12—H12C	109.53
H2B—C2—H2C	109.45	C9—C12—H12A	109.39
C1—C3—H3D	109.51	C9—C12—H12B	109.47
C1—C3—H3E	109.41	C9—C12—H12C	109.49
C1—C3—H3F	109.46	N1—C13—H13A	118.57
H3D—C3—H3E	109.46	C14—C13—H13A	118.55
H3D—C3—H3F	109.54	C14—C15—H15A	109.44
H3E—C3—H3F	109.44	H15A—C15—H15C	109.49
C1—C4—H4A	109.48	H15B—C15—H15C	109.45
C1—C4—H4B	109.52	C14—C15—H15C	109.54
C1—C4—H4C	109.53	H15A—C15—H15B	109.43
H4A—C4—H4B	109.44	C14—C15—H15B	109.47
H4A—C4—H4C	109.41	C14—C16—H16A	119.18
H4B—C4—H4C	109.45	C14^i—C16—H16A	119.18
C5—C6—H6A	109.41
N1—Zn1—S1—Si1	87.13 (4)	O2—Si1—O3—C9	−161.5 (2)
S1^i—Zn1—S1—Si1	−92.87 (5)	Si1—O1—C1—C2	−151.4 (2)
S1—Zn1—N1—C13	−38.20	Si1—O1—C1—C3	−31.0 (3)
S1—Zn1—N1—C13^i	141.80	Si1—O1—C1—C4	90.1 (2)
S1^i—Zn1—N1—C13	141.80	Si1—O2—C5—C6	29.3 (4)
Zn1—S1—Si1—O1	7.32 (7)	Si1—O2—C5—C7	−89.1 (3)
Zn1—S1—Si1—O2	−105.94 (8)	Si1—O2—C5—C8	161.2 (3)
Zn1—S1—Si1—O3	130.77 (8)	Si1—O3—C9—C10	−40.6 (3)
S1—Si1—O1—C1	−172.52 (18)	Si1—O3—C9—C11	81.6 (3)
O2—Si1—O1—C1	−51.7 (2)	Si1—O3—C9—C12	−160.9 (2)
O3—Si1—O1—C1	63.0 (2)	Zn1—N1—C13—C14	−178.57
S1—Si1—O2—C5	−72.4 (2)	C13^i—N1—C13—C14	1.43
O1—Si1—O2—C5	175.0 (2)	N1—C13—C14—C15	176.70
O3—Si1—O2—C5	55.4 (2)	N1—C13—C14—C16	−2.76
S1—Si1—O3—C9	−33.4 (2)	C15—C14—C16—C14^i	−178.1 (2)
O1—Si1—O3—C9	84.7 (2)	C13—C14—C16—C14^i	1.30

Symmetry codes: (i) −x, y, −z+1/2; (ii) −x+1/2, y+1/2, −z+1/2; (iii) x+1/2, y+1/2, z; (iv) −x+1/2, y−1/2, −z+1/2; (v) −x+1/2, −y+3/2, −z; (vi) x−1/2, y−1/2, z; (vii) x+1/2, y−1/2, z; (viii) x−1/2, y+1/2, z; (ix) −x, −y+1, −z; (x) −x, −y+2, −z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C7—H7A···O3	0.98	2.48	3.207 (6)	131