The 1:1 adduct of triphenylsilanol and 4,4′-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having Z′ = 0.5, 1 and 4

Crystallization from methanol solution of mixtures of triphenylsilanol and 4,4′-bipyridyl has given a 1:1 adduct (I), Ph₃SiOH·C₁₀H₈N₂, and three polymorphic 4:1 adducts (II)–(IV), (Ph₃SiOH)₄·C₁₀H₈N₂. In (I), the components are linked by a single O—H...N hydrogen bond and by a number of C—H...π(arene) hydrogen bonds to form a continuous three-dimensional structure. Compounds (II)–(IV) are all triclinic, space group P, with Z′ values of 0.5, 1 and 4, respectively. The basic hydrogen-bonded aggregate is the same in each of (II)–(IV), having a pair of silanol molecules linked to the bipyridyl via O—N...N hydrogen bonds and a further pair of silanol molecules linked to the first pair via O—H...O hydrogen bonds. In (II) there is just one such aggregate lying across a centre of inversion (Z′ = 0.5) and in (III) there are two such aggregates, both lying across centres of inversion (Z′ = 2 × 0.5 = 1). In (IV) there are six independent aggregates of this type, four of which lie across centres of inversion and two of which lie in general positions, so that Z′ = (4 × 0.5) + 2 = 4. While the components in (I) are fully ordered, each of (II)–(IV) exhibits extensive disorder involving both the bipyridyl units and the phenyl rings of the silanol components.

S1. Comment

In full text version

S2. Experimental

In full text version

S3. Refinement

In full text version

Computing details

For all compounds, data collection: Kappa-CCD server software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997b); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: PLATON (Spek, 2002); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997a) and PRPKAPPA (Ferguson, 1999).

Figures

In full text version

(I) Triphenylsilanol–4,4-bipyridyl (1/1)

Crystal data

C18H16OSi·C10H8N2	Z = 2
Mr = 432.58	F(000) = 456
Triclinic, P1	Dx = 1.255 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.9849 (3) Å	Cell parameters from 5243 reflections
b = 9.3118 (4) Å	θ = 2.7–27.6°
c = 15.2451 (7) Å	µ = 0.13 mm^−1
α = 83.2841 (18)°	T = 150 K
β = 89.1384 (17)°	Plate, colourless
γ = 64.693 (1)°	0.35 × 0.32 × 0.08 mm
V = 1144.30 (8) Å^3

Data collection

Kappa-CCD diffractometer	3778 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.071
Graphite monochromator	θmax = 27.6°, θmin = 2.7°
ϕ scans, and ω scans with κ offsets	h = −11→11
16245 measured reflections	k = −12→12
5243 independent reflections	l = −19→19

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.129	w = 1/[σ^2(Fo^2) + (0.0549P)^2 + 0.1806P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.002
5243 reflections	Δρmax = 0.36 e Å^−3
291 parameters	Δρmin = −0.39 e Å^−3
0 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.030 (5)

Special details

Experimental. ?.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Si1	0.72843 (6)	0.21815 (5)	0.28416 (3)	0.02934 (15)
O1	0.68119 (15)	0.20342 (14)	0.18389 (8)	0.0365 (3)
C31	0.9237 (2)	0.03629 (19)	0.31664 (11)	0.0289 (4)
C32	1.0488 (2)	−0.0156 (2)	0.25596 (12)	0.0362 (4)
C33	1.1970 (2)	−0.1497 (2)	0.27754 (13)	0.0411 (4)
C34	1.2224 (2)	−0.2352 (2)	0.36036 (14)	0.0425 (5)
C35	1.1009 (2)	−0.1871 (2)	0.42149 (13)	0.0442 (5)
C36	0.9541 (2)	−0.0524 (2)	0.40029 (12)	0.0359 (4)
C41	0.7655 (2)	0.40072 (19)	0.28765 (11)	0.0299 (4)
C42	0.6568 (2)	0.5498 (2)	0.24379 (12)	0.0366 (4)
C43	0.6822 (2)	0.6862 (2)	0.24488 (13)	0.0419 (5)
C44	0.8170 (2)	0.6779 (2)	0.29128 (13)	0.0419 (5)
C45	0.9276 (2)	0.5332 (2)	0.33479 (13)	0.0432 (5)
C46	0.9026 (2)	0.3961 (2)	0.33249 (12)	0.0366 (4)
C51	0.5615 (2)	0.22478 (19)	0.36069 (11)	0.0310 (4)
C52	0.4797 (2)	0.1279 (2)	0.35191 (13)	0.0381 (4)
C53	0.3558 (2)	0.1293 (2)	0.40740 (14)	0.0440 (5)
C54	0.3101 (2)	0.2276 (2)	0.47366 (13)	0.0413 (4)
C55	0.3888 (2)	0.3234 (2)	0.48473 (14)	0.0425 (5)
C56	0.5133 (2)	0.3213 (2)	0.42892 (12)	0.0358 (4)
N1	0.38165 (18)	0.41941 (18)	0.10145 (11)	0.0386 (4)
C12	0.2686 (2)	0.5105 (2)	0.15342 (13)	0.0411 (4)
C13	0.1180 (2)	0.6318 (2)	0.12270 (12)	0.0399 (4)
C14	0.0790 (2)	0.6625 (2)	0.03228 (12)	0.0324 (4)
C15	0.1956 (2)	0.5660 (2)	−0.02215 (12)	0.0365 (4)
C16	0.3423 (2)	0.4480 (2)	0.01449 (13)	0.0400 (4)
N2	−0.3733 (2)	1.0489 (2)	−0.07656 (12)	0.0522 (5)
C22	−0.3014 (3)	0.9130 (2)	−0.11265 (14)	0.0475 (5)
C23	−0.1559 (2)	0.7844 (2)	−0.08010 (13)	0.0403 (4)
C24	−0.0793 (2)	0.7942 (2)	−0.00452 (12)	0.0343 (4)
C25	−0.1557 (3)	0.9334 (2)	0.03490 (14)	0.0495 (5)
C26	−0.2991 (3)	1.0555 (3)	−0.00328 (15)	0.0593 (6)
H1	0.5873	0.2761	0.1684	0.055*
H32	1.0321	0.0423	0.1986	0.043*
H33	1.2803	−0.1822	0.2354	0.049*
H34	1.3233	−0.3270	0.3754	0.051*
H35	1.1181	−0.2467	0.4784	0.053*
H36	0.8726	−0.0198	0.4434	0.043*
H42	0.5628	0.5573	0.2123	0.044*
H43	0.6072	0.7851	0.2139	0.050*
H44	0.8337	0.7715	0.2933	0.050*
H45	1.0208	0.5273	0.3663	0.052*
H46	0.9804	0.2971	0.3620	0.044*
H52	0.5102	0.0595	0.3067	0.046*
H53	0.3021	0.0628	0.3999	0.053*
H54	0.2247	0.2292	0.5115	0.050*
H55	0.3580	0.3907	0.5304	0.051*
H56	0.5670	0.3873	0.4374	0.043*
H12	0.2928	0.4910	0.2153	0.049*
H13	0.0422	0.6935	0.1628	0.048*
H15	0.1741	0.5814	−0.0842	0.044*
H16	0.4199	0.3832	−0.0239	0.048*
H22	−0.3531	0.9033	−0.1641	0.057*
H23	−0.1097	0.6912	−0.1094	0.048*
H25	−0.1096	0.9447	0.0879	0.059*
H26	−0.3478	1.1502	0.0246	0.071*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0270 (3)	0.0287 (2)	0.0296 (3)	−0.00930 (19)	−0.00110 (18)	−0.00335 (18)
O1	0.0321 (7)	0.0362 (7)	0.0332 (7)	−0.0062 (5)	−0.0032 (5)	−0.0070 (5)
C31	0.0294 (8)	0.0279 (8)	0.0309 (8)	−0.0132 (7)	−0.0018 (7)	−0.0041 (6)
C32	0.0330 (9)	0.0371 (9)	0.0322 (9)	−0.0099 (8)	0.0007 (7)	−0.0005 (7)
C33	0.0331 (10)	0.0394 (10)	0.0435 (11)	−0.0082 (8)	0.0048 (8)	−0.0080 (8)
C34	0.0347 (10)	0.0321 (9)	0.0492 (11)	−0.0041 (8)	−0.0077 (9)	−0.0010 (8)
C35	0.0433 (11)	0.0403 (10)	0.0398 (11)	−0.0119 (9)	−0.0057 (9)	0.0072 (8)
C36	0.0354 (10)	0.0361 (9)	0.0341 (9)	−0.0139 (8)	0.0008 (8)	−0.0022 (7)
C41	0.0279 (8)	0.0314 (8)	0.0280 (8)	−0.0101 (7)	0.0049 (7)	−0.0045 (7)
C42	0.0325 (9)	0.0323 (9)	0.0407 (10)	−0.0097 (7)	−0.0012 (8)	−0.0048 (7)
C43	0.0421 (11)	0.0286 (9)	0.0482 (11)	−0.0091 (8)	0.0037 (9)	−0.0033 (8)
C44	0.0475 (11)	0.0357 (9)	0.0468 (11)	−0.0213 (9)	0.0105 (9)	−0.0076 (8)
C45	0.0414 (11)	0.0474 (11)	0.0463 (11)	−0.0246 (9)	−0.0019 (9)	−0.0038 (9)
C46	0.0354 (10)	0.0362 (9)	0.0367 (10)	−0.0152 (8)	−0.0019 (8)	0.0004 (8)
C51	0.0278 (8)	0.0282 (8)	0.0329 (9)	−0.0087 (7)	−0.0046 (7)	−0.0004 (7)
C52	0.0373 (10)	0.0391 (10)	0.0397 (10)	−0.0172 (8)	−0.0013 (8)	−0.0080 (8)
C53	0.0400 (11)	0.0465 (11)	0.0524 (12)	−0.0254 (9)	0.0011 (9)	−0.0051 (9)
C54	0.0344 (10)	0.0442 (11)	0.0451 (11)	−0.0174 (8)	0.0070 (8)	−0.0029 (9)
C55	0.0398 (11)	0.0420 (10)	0.0465 (11)	−0.0170 (9)	0.0095 (9)	−0.0121 (9)
C56	0.0332 (9)	0.0355 (9)	0.0412 (10)	−0.0162 (8)	0.0044 (8)	−0.0088 (8)
N1	0.0311 (8)	0.0384 (8)	0.0430 (9)	−0.0124 (7)	−0.0043 (7)	−0.0015 (7)
C12	0.0381 (10)	0.0444 (10)	0.0367 (10)	−0.0141 (8)	−0.0066 (8)	−0.0030 (8)
C13	0.0365 (10)	0.0436 (10)	0.0340 (10)	−0.0113 (8)	−0.0023 (8)	−0.0068 (8)
C14	0.0298 (9)	0.0309 (8)	0.0362 (9)	−0.0129 (7)	0.0000 (7)	−0.0028 (7)
C15	0.0355 (10)	0.0373 (9)	0.0331 (9)	−0.0128 (8)	0.0018 (7)	−0.0018 (7)
C16	0.0344 (10)	0.0393 (10)	0.0402 (10)	−0.0106 (8)	0.0030 (8)	−0.0029 (8)
N2	0.0396 (10)	0.0517 (10)	0.0502 (11)	−0.0073 (8)	−0.0049 (8)	0.0032 (8)
C22	0.0465 (12)	0.0529 (12)	0.0429 (11)	−0.0239 (10)	−0.0133 (9)	0.0079 (9)
C23	0.0413 (10)	0.0369 (10)	0.0419 (10)	−0.0175 (8)	−0.0063 (8)	0.0016 (8)
C24	0.0317 (9)	0.0373 (9)	0.0330 (9)	−0.0150 (8)	−0.0005 (7)	0.0006 (7)
C25	0.0422 (11)	0.0487 (11)	0.0421 (11)	−0.0036 (9)	−0.0059 (9)	−0.0099 (9)
C26	0.0504 (13)	0.0500 (12)	0.0527 (13)	0.0028 (10)	−0.0059 (11)	−0.0090 (10)

Geometric parameters (Å, º)

Si1—O1	1.6292 (12)	C52—H52	0.95
Si1—C31	1.8660 (17)	C53—C54	1.381 (3)
Si1—C51	1.8707 (18)	C53—H53	0.95
Si1—C41	1.8732 (17)	C54—C55	1.380 (3)
O1—H1	0.84	C54—H54	0.95
C31—C36	1.398 (2)	C55—C56	1.389 (3)
C31—C32	1.401 (2)	C55—H55	0.95
C32—C33	1.391 (2)	C56—H56	0.95
C32—H32	0.95	N1—C12	1.333 (2)
C33—C34	1.378 (3)	N1—C16	1.343 (2)
C33—H33	0.95	C12—C13	1.383 (3)
C34—C35	1.382 (3)	C12—H12	0.95
C34—H34	0.95	C13—C14	1.393 (2)
C35—C36	1.386 (3)	C13—H13	0.95
C35—H35	0.95	C14—C15	1.391 (2)
C36—H36	0.95	C14—C24	1.488 (2)
C41—C46	1.400 (2)	C15—C16	1.377 (3)
C41—C42	1.404 (2)	C15—H15	0.95
C42—C43	1.385 (3)	C16—H16	0.95
C42—H42	0.95	N2—C26	1.330 (3)
C43—C44	1.381 (3)	N2—C22	1.332 (3)
C43—H43	0.95	C22—C23	1.389 (3)
C44—C45	1.382 (3)	C22—H22	0.95
C44—H44	0.95	C23—C24	1.382 (3)
C45—C46	1.391 (3)	C23—H23	0.95
C45—H45	0.95	C24—C25	1.386 (3)
C46—H46	0.95	C25—C26	1.381 (3)
C51—C56	1.396 (2)	C25—H25	0.95
C51—C52	1.404 (2)	C26—H26	0.95
C52—C53	1.385 (3)
O1—Si1—C31	105.53 (7)	C53—C52—H52	119.1
O1—Si1—C51	110.79 (7)	C51—C52—H52	119.1
C31—Si1—C51	110.72 (8)	C54—C53—C52	119.97 (18)
O1—Si1—C41	111.05 (7)	C54—C53—H53	120.0
C31—Si1—C41	109.08 (7)	C52—C53—H53	120.0
C51—Si1—C41	109.61 (7)	C55—C54—C53	119.92 (18)
Si1—O1—H1	109.5	C55—C54—H54	120.0
C36—C31—C32	117.12 (16)	C53—C54—H54	120.0
C36—C31—Si1	123.16 (13)	C54—C55—C56	119.85 (18)
C32—C31—Si1	119.72 (13)	C54—C55—H55	120.1
C33—C32—C31	121.69 (17)	C56—C55—H55	120.1
C33—C32—H32	119.2	C55—C56—C51	121.84 (17)
C31—C32—H32	119.2	C55—C56—H56	119.1
C34—C33—C32	119.71 (18)	C51—C56—H56	119.1
C34—C33—H33	120.1	C12—N1—C16	116.54 (16)
C32—C33—H33	120.1	N1—C12—C13	123.96 (17)
C33—C34—C35	119.86 (17)	N1—C12—H12	118.0
C33—C34—H34	120.1	C13—C12—H12	118.0
C35—C34—H34	120.1	C12—C13—C14	119.20 (18)
C34—C35—C36	120.40 (18)	C12—C13—H13	120.4
C34—C35—H35	119.8	C14—C13—H13	120.4
C36—C35—H35	119.8	C15—C14—C13	117.08 (16)
C35—C36—C31	121.21 (18)	C15—C14—C24	121.51 (16)
C35—C36—H36	119.4	C13—C14—C24	121.40 (16)
C31—C36—H36	119.4	C16—C15—C14	119.58 (17)
C46—C41—C42	116.55 (16)	C16—C15—H15	120.2
C46—C41—Si1	122.33 (13)	C14—C15—H15	120.2
C42—C41—Si1	121.11 (13)	N1—C16—C15	123.63 (18)
C43—C42—C41	122.18 (17)	N1—C16—H16	118.2
C43—C42—H42	118.9	C15—C16—H16	118.2
C41—C42—H42	118.9	C26—N2—C22	115.73 (18)
C44—C43—C42	119.69 (17)	N2—C22—C23	124.39 (19)
C44—C43—H43	120.2	N2—C22—H22	117.8
C42—C43—H43	120.2	C23—C22—H22	117.8
C43—C44—C45	119.93 (18)	C24—C23—C22	119.06 (18)
C43—C44—H44	120.0	C24—C23—H23	120.5
C45—C44—H44	120.0	C22—C23—H23	120.5
C44—C45—C46	120.12 (18)	C23—C24—C25	116.94 (17)
C44—C45—H45	119.9	C23—C24—C14	121.63 (17)
C46—C45—H45	119.9	C25—C24—C14	121.42 (16)
C45—C46—C41	121.52 (17)	C26—C25—C24	119.64 (19)
C45—C46—H46	119.2	C26—C25—H25	120.2
C41—C46—H46	119.2	C24—C25—H25	120.2
C56—C51—C52	116.71 (16)	N2—C26—C25	124.2 (2)
C56—C51—Si1	123.22 (13)	N2—C26—H26	117.9
C52—C51—Si1	120.06 (13)	C25—C26—H26	117.9
C53—C52—C51	121.71 (17)
O1—Si1—C31—C36	−138.30 (14)	O1—Si1—C51—C52	39.16 (16)
C51—Si1—C31—C36	−18.38 (17)	C31—Si1—C51—C52	−77.56 (15)
C41—Si1—C31—C36	102.32 (15)	C41—Si1—C51—C52	162.06 (14)
O1—Si1—C31—C32	42.44 (15)	C56—C51—C52—C53	0.8 (3)
C51—Si1—C31—C32	162.36 (13)	Si1—C51—C52—C53	179.89 (15)
C41—Si1—C31—C32	−76.94 (15)	C51—C52—C53—C54	−0.2 (3)
C36—C31—C32—C33	0.2 (3)	C52—C53—C54—C55	−0.4 (3)
Si1—C31—C32—C33	179.46 (14)	C53—C54—C55—C56	0.3 (3)
C31—C32—C33—C34	0.3 (3)	C54—C55—C56—C51	0.4 (3)
C32—C33—C34—C35	−0.1 (3)	C52—C51—C56—C55	−0.9 (3)
C33—C34—C35—C36	−0.6 (3)	Si1—C51—C56—C55	−179.96 (14)
C34—C35—C36—C31	1.2 (3)	C16—N1—C12—C13	−1.3 (3)
C32—C31—C36—C35	−0.9 (3)	N1—C12—C13—C14	0.3 (3)
Si1—C31—C36—C35	179.82 (14)	C12—C13—C14—C15	0.7 (3)
O1—Si1—C41—C46	−132.88 (14)	C12—C13—C14—C24	−178.40 (17)
C31—Si1—C41—C46	−16.99 (17)	C13—C14—C15—C16	−0.7 (3)
C51—Si1—C41—C46	104.38 (15)	C24—C14—C15—C16	178.35 (17)
O1—Si1—C41—C42	46.18 (16)	C12—N1—C16—C15	1.2 (3)
C31—Si1—C41—C42	162.07 (14)	C14—C15—C16—N1	−0.2 (3)
C51—Si1—C41—C42	−76.56 (15)	C26—N2—C22—C23	−1.8 (3)
C46—C41—C42—C43	−0.4 (3)	N2—C22—C23—C24	1.0 (3)
Si1—C41—C42—C43	−179.53 (15)	C22—C23—C24—C25	0.8 (3)
C41—C42—C43—C44	−0.9 (3)	C22—C23—C24—C14	−178.36 (17)
C42—C43—C44—C45	1.3 (3)	C15—C14—C24—C23	31.7 (3)
C43—C44—C45—C46	−0.5 (3)	C13—C14—C24—C23	−149.28 (19)
C44—C45—C46—C41	−0.9 (3)	C15—C14—C24—C25	−147.5 (2)
C42—C41—C46—C45	1.3 (3)	C13—C14—C24—C25	31.6 (3)
Si1—C41—C46—C45	−179.61 (15)	C23—C24—C25—C26	−1.8 (3)
O1—Si1—C51—C56	−141.84 (14)	C14—C24—C25—C26	177.4 (2)
C31—Si1—C51—C56	101.44 (15)	C22—N2—C26—C25	0.7 (4)
C41—Si1—C51—C56	−18.94 (17)	C24—C25—C26—N2	1.0 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1	0.84	1.97	2.784 (2)	164
C23—H23···Cg1^i	0.95	2.81	3.346 (2)	117
C32—H32···Cg2^ii	0.95	3.03	3.810 (2)	140
C44—H44···Cg3^iii	0.95	3.00	3.822 (2)	145
C55—H55···Cg4^iv	0.95	3.06	3.901 (2)	149

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

(II) Triphenylsilanol–4,4'-bipyridyl (4/1), polymorph with Z' = 0.5

Crystal data

4(C18H16OSi)·C10H8N2	Z = 1
Mr = 1261.78	F(000) = 666
Triclinic, P1	Dx = 1.204 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.2128 (18) Å	Cell parameters from 10145 reflections
b = 10.244 (2) Å	θ = 2.6–27.5°
c = 19.036 (4) Å	µ = 0.14 mm^−1
α = 99.65 (3)°	T = 150 K
β = 93.21 (3)°	Block, colourless
γ = 99.57 (3)°	0.32 × 0.25 × 0.20 mm
V = 1740.0 (7) Å^3

Data collection

Kappa-CCD diffractometer	4784 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.064
Graphite monochromator	θmax = 27.5°, θmin = 2.6°
ϕ scans, and ω scans with κ offsets	h = −11→11
22073 measured reflections	k = −13→13
7927 independent reflections	l = −22→24

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.061	H-atom parameters constrained
wR(F^2) = 0.183	w = 1/[σ^2(Fo^2) + (0.0798P)^2 + 0.4962P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
7927 reflections	Δρmax = 0.33 e Å^−3
419 parameters	Δρmin = −0.26 e Å^−3
31 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.015 (4)

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Si1	0.60366 (7)	0.97226 (6)	0.84269 (3)	0.0426 (2)
O1	0.6706 (2)	0.96278 (17)	0.76452 (9)	0.0548 (5)
C11	0.58119 (17)	0.80096 (13)	0.86958 (8)	0.0451 (5)
C12	0.68722 (16)	0.72191 (17)	0.85185 (9)	0.0598 (7)
C13	0.6750 (2)	0.59546 (16)	0.87075 (11)	0.0695 (8)
C14	0.5567 (2)	0.54806 (14)	0.90737 (10)	0.0732 (9)
C15	0.45066 (19)	0.62711 (18)	0.92511 (9)	0.0670 (8)
C16	0.46291 (16)	0.75355 (16)	0.90621 (9)	0.0550 (6)
C21	0.74153 (16)	1.09757 (14)	0.90805 (7)	0.0439 (5)
C22	0.7821 (2)	1.22820 (15)	0.89583 (8)	0.0604 (7)
C23	0.8835 (2)	1.32100 (13)	0.94393 (10)	0.0737 (9)
C24	0.9444 (2)	1.28318 (16)	1.00425 (9)	0.0697 (8)
C25	0.9038 (2)	1.15256 (18)	1.01647 (7)	0.0642 (7)
C26	0.80238 (18)	1.05975 (13)	0.96838 (8)	0.0527 (6)
C31	0.41977 (15)	1.03038 (18)	0.84162 (9)	0.0488 (6)
C32	0.3097 (2)	0.97101 (18)	0.78736 (9)	0.0698 (8)
C33	0.17096 (18)	1.0073 (2)	0.78903 (12)	0.0900 (11)
C34	0.14229 (16)	1.1030 (2)	0.84497 (14)	0.0894 (12)
C35	0.2524 (2)	1.1624 (2)	0.89922 (11)	0.0846 (10)
C36	0.39110 (19)	1.12608 (19)	0.89755 (8)	0.0646 (7)
Si2	0.80184 (8)	1.23413 (8)	0.65472 (4)	0.0567 (2)
O2	0.8493 (2)	1.1029 (2)	0.68131 (13)	0.0782 (6)
C41	0.5999 (10)	1.2327 (14)	0.6575 (7)	0.0647 (8)	0.50
C42	0.5091 (12)	1.1635 (12)	0.5974 (6)	0.099 (3)	0.50
C43	0.3567 (11)	1.1525 (16)	0.5972 (6)	0.139 (4)	0.50
C44	0.2949 (11)	1.211 (2)	0.6570 (8)	0.140 (3)	0.50
C45	0.3857 (19)	1.2797 (17)	0.7171 (7)	0.104 (3)	0.50
C46	0.5381 (17)	1.2907 (14)	0.7173 (6)	0.071 (2)	0.50
C71	0.5963 (10)	1.2247 (14)	0.6593 (7)	0.0647 (8)	0.50
C72	0.4974 (12)	1.1194 (12)	0.6174 (6)	0.099 (3)	0.50
C73	0.3464 (11)	1.1108 (15)	0.6228 (6)	0.139 (4)	0.50
C74	0.2943 (12)	1.2076 (18)	0.6701 (8)	0.140 (3)	0.50
C75	0.3931 (19)	1.3130 (15)	0.7120 (7)	0.104 (3)	0.50
C76	0.5441 (17)	1.3215 (13)	0.7066 (7)	0.071 (2)	0.50
C51	0.9068 (3)	1.3908 (3)	0.71136 (13)	0.0514 (6)
C52	1.0131 (3)	1.3859 (4)	0.76440 (17)	0.0740 (8)
C53	1.0974 (4)	1.5028 (5)	0.8041 (2)	0.1027 (13)
C54	1.0778 (5)	1.6243 (5)	0.7921 (2)	0.1039 (15)
C55	0.9722 (5)	1.6336 (4)	0.7412 (2)	0.0955 (12)
C56	0.8870 (4)	1.5184 (3)	0.70120 (17)	0.0741 (8)
C61	0.8716 (5)	1.2069 (5)	0.56323 (19)	0.0565 (14)	0.50
C62	0.9479 (5)	1.1042 (4)	0.5389 (2)	0.0711 (17)	0.50
C63	0.9925 (5)	1.0893 (5)	0.4699 (3)	0.093 (2)	0.50
C64	0.9610 (6)	1.1771 (7)	0.4252 (2)	0.107 (3)	0.50
C65	0.8848 (8)	1.2798 (6)	0.4495 (3)	0.135 (5)	0.50
C66	0.8401 (7)	1.2947 (5)	0.5185 (3)	0.115 (4)	0.50
C81	0.8351 (6)	1.2518 (6)	0.5588 (2)	0.0565 (14)	0.50
C82	0.7396 (7)	1.1769 (8)	0.5017 (3)	0.157 (5)	0.50
C83	0.7716 (9)	1.1851 (10)	0.4319 (2)	0.188 (7)	0.50
C84	0.8992 (10)	1.2681 (9)	0.4192 (3)	0.131 (5)	0.50
C85	0.9948 (10)	1.3430 (11)	0.4763 (4)	0.296 (15)	0.50
C86	0.9627 (8)	1.3348 (10)	0.5461 (3)	0.242 (11)	0.50
N1	0.5673 (12)	0.742 (2)	0.6559 (12)	0.0754 (17)	0.50
C2	0.653 (2)	0.7466 (15)	0.6018 (9)	0.084 (3)	0.50
C3	0.626 (2)	0.6495 (13)	0.5399 (10)	0.086 (3)	0.50
C4	0.5084 (15)	0.544 (2)	0.5321 (14)	0.0621 (17)	0.50
C5	0.4259 (19)	0.545 (2)	0.5904 (9)	0.087 (3)	0.50
C6	0.4540 (13)	0.6424 (17)	0.6516 (9)	0.090 (3)	0.50
N1A	0.4133 (11)	0.237 (2)	0.3443 (12)	0.0754 (17)	0.50
C2A	0.3764 (19)	0.2162 (16)	0.4077 (9)	0.084 (3)	0.50
C3A	0.4040 (19)	0.3112 (14)	0.4699 (10)	0.086 (3)	0.50
C4A	0.4759 (15)	0.438 (2)	0.4666 (14)	0.0621 (17)	0.50
C5A	0.5166 (16)	0.468 (2)	0.4013 (9)	0.087 (3)	0.50
C6A	0.4820 (12)	0.3627 (17)	0.3435 (9)	0.090 (3)	0.50
H1	0.6236	0.8949	0.7365	0.082*
H12	0.7681	0.7543	0.8268	0.072*
H13	0.7474	0.5414	0.8586	0.083*
H14	0.5483	0.4616	0.9203	0.088*
H15	0.3698	0.5947	0.9501	0.080*
H16	0.3904	0.8076	0.9183	0.066*
H22	0.7405	1.2540	0.8546	0.073*
H23	0.9112	1.4103	0.9356	0.088*
H24	1.0137	1.3466	1.0371	0.084*
H25	0.9454	1.1267	1.0577	0.077*
H26	0.7747	0.9705	0.9767	0.063*
H32	0.3293	0.9056	0.7491	0.084*
H33	0.0957	0.9668	0.7519	0.108*
H34	0.0475	1.1279	0.8461	0.107*
H35	0.2328	1.2278	0.9375	0.102*
H36	0.4663	1.1666	0.9346	0.077*
H2	0.8001	1.0843	0.7153	0.117*
H42	0.5513	1.1239	0.5565	0.119*	0.50
H43	0.2947	1.1052	0.5561	0.167*	0.50
H44	0.1907	1.2030	0.6568	0.168*	0.50
H45	0.3435	1.3193	0.7580	0.125*	0.50
H46	0.6002	1.3380	0.7584	0.085*	0.50
H72	0.5331	1.0532	0.5851	0.119*	0.50
H73	0.2789	1.0388	0.5942	0.167*	0.50
H74	0.1911	1.2018	0.6738	0.168*	0.50
H75	0.3574	1.3791	0.7443	0.125*	0.50
H76	0.6116	1.3935	0.7352	0.085*	0.50
H52	1.0290	1.3010	0.7739	0.089*
H53	1.1700	1.4967	0.8403	0.123*
H54	1.1374	1.7034	0.8189	0.125*
H55	0.9568	1.7196	0.7332	0.115*
H56	0.8134	1.5264	0.6660	0.089*
H62	0.9694	1.0443	0.5695	0.085*	0.50
H63	1.0446	1.0191	0.4533	0.112*	0.50
H64	0.9916	1.1669	0.3781	0.128*	0.50
H65	0.8633	1.3397	0.4190	0.162*	0.50
H66	0.7880	1.3648	0.5351	0.139*	0.50
H82	0.6524	1.1202	0.5104	0.188*	0.50
H83	0.7063	1.1340	0.3929	0.225*	0.50
H84	0.9211	1.2737	0.3715	0.157*	0.50
H85	1.0820	1.3997	0.4676	0.355*	0.50
H86	1.0280	1.3859	0.5851	0.291*	0.50
H2A	0.7345	0.8183	0.6058	0.101*	0.50
H3	0.6899	0.6558	0.5025	0.103*	0.50
H5	0.3441	0.4743	0.5884	0.104*	0.50
H6	0.3929	0.6378	0.6900	0.109*	0.50
H2A1	0.3268	0.1287	0.4111	0.101*	0.50
H3A	0.3737	0.2890	0.5140	0.103*	0.50
H5A	0.5650	0.5551	0.3964	0.104*	0.50
H6A	0.5101	0.3818	0.2985	0.109*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0459 (4)	0.0390 (4)	0.0412 (3)	0.0075 (3)	0.0028 (3)	0.0021 (3)
O1	0.0679 (11)	0.0477 (10)	0.0436 (9)	0.0020 (8)	0.0101 (8)	0.0002 (7)
C11	0.0480 (13)	0.0426 (13)	0.0414 (12)	0.0075 (10)	−0.0013 (10)	0.0005 (10)
C12	0.0664 (17)	0.0498 (15)	0.0651 (16)	0.0178 (13)	0.0085 (13)	0.0078 (12)
C13	0.090 (2)	0.0507 (17)	0.0707 (19)	0.0276 (15)	−0.0024 (16)	0.0069 (14)
C14	0.106 (2)	0.0445 (16)	0.0668 (18)	0.0087 (16)	−0.0134 (17)	0.0161 (14)
C15	0.0733 (19)	0.0613 (18)	0.0632 (17)	−0.0062 (15)	0.0010 (14)	0.0213 (14)
C16	0.0573 (15)	0.0520 (16)	0.0545 (15)	0.0072 (12)	0.0024 (11)	0.0090 (12)
C21	0.0455 (12)	0.0413 (13)	0.0434 (12)	0.0104 (10)	0.0042 (9)	0.0006 (10)
C22	0.0722 (18)	0.0444 (15)	0.0618 (16)	0.0109 (13)	−0.0071 (13)	0.0053 (12)
C23	0.092 (2)	0.0415 (15)	0.078 (2)	−0.0023 (14)	−0.0081 (17)	0.0028 (14)
C24	0.0673 (18)	0.0593 (18)	0.0685 (18)	0.0041 (14)	−0.0085 (14)	−0.0158 (14)
C25	0.0692 (17)	0.0658 (19)	0.0519 (15)	0.0140 (14)	−0.0085 (12)	−0.0030 (13)
C26	0.0554 (14)	0.0496 (15)	0.0509 (14)	0.0097 (11)	0.0004 (11)	0.0038 (11)
C31	0.0513 (14)	0.0472 (14)	0.0506 (14)	0.0089 (11)	0.0038 (10)	0.0167 (11)
C32	0.0577 (17)	0.0605 (18)	0.087 (2)	0.0063 (14)	−0.0143 (14)	0.0120 (15)
C33	0.0580 (19)	0.081 (2)	0.130 (3)	0.0033 (17)	−0.0234 (19)	0.038 (2)
C34	0.0528 (18)	0.098 (3)	0.141 (3)	0.0265 (18)	0.023 (2)	0.071 (3)
C35	0.081 (2)	0.097 (3)	0.096 (3)	0.047 (2)	0.0311 (19)	0.035 (2)
C36	0.0647 (17)	0.075 (2)	0.0625 (17)	0.0319 (15)	0.0122 (13)	0.0134 (14)
Si2	0.0543 (4)	0.0599 (5)	0.0503 (4)	−0.0009 (3)	0.0098 (3)	0.0034 (3)
O2	0.0703 (13)	0.0594 (13)	0.1093 (18)	0.0135 (10)	0.0347 (12)	0.0173 (12)
C41	0.0546 (16)	0.081 (2)	0.0565 (17)	0.0009 (15)	−0.0035 (13)	0.0207 (15)
C42	0.067 (3)	0.120 (8)	0.095 (6)	−0.019 (4)	−0.013 (3)	0.019 (4)
C43	0.075 (4)	0.224 (11)	0.103 (8)	−0.044 (5)	−0.029 (5)	0.064 (6)
C44	0.053 (2)	0.244 (7)	0.138 (6)	0.002 (3)	−0.004 (3)	0.106 (6)
C45	0.071 (3)	0.146 (8)	0.116 (4)	0.024 (5)	0.032 (2)	0.072 (4)
C46	0.058 (2)	0.095 (6)	0.069 (4)	0.010 (3)	0.020 (3)	0.042 (4)
C71	0.0546 (16)	0.081 (2)	0.0565 (17)	0.0009 (15)	−0.0035 (13)	0.0207 (15)
C72	0.067 (3)	0.120 (8)	0.095 (6)	−0.019 (4)	−0.013 (3)	0.019 (4)
C73	0.075 (4)	0.224 (11)	0.103 (8)	−0.044 (5)	−0.029 (5)	0.064 (6)
C74	0.053 (2)	0.244 (7)	0.138 (6)	0.002 (3)	−0.004 (3)	0.106 (6)
C75	0.071 (3)	0.146 (8)	0.116 (4)	0.024 (5)	0.032 (2)	0.072 (4)
C76	0.058 (2)	0.095 (6)	0.069 (4)	0.010 (3)	0.020 (3)	0.042 (4)
C51	0.0499 (14)	0.0560 (16)	0.0467 (13)	0.0052 (11)	0.0077 (10)	0.0079 (11)
C52	0.0667 (19)	0.077 (2)	0.075 (2)	0.0098 (16)	−0.0062 (15)	0.0113 (16)
C53	0.084 (3)	0.121 (4)	0.082 (3)	−0.012 (2)	−0.0191 (19)	−0.003 (2)
C54	0.117 (3)	0.094 (3)	0.072 (2)	−0.034 (3)	0.025 (2)	−0.019 (2)
C55	0.133 (3)	0.057 (2)	0.090 (3)	−0.001 (2)	0.041 (3)	0.0031 (18)
C56	0.087 (2)	0.066 (2)	0.0681 (19)	0.0091 (17)	0.0077 (16)	0.0130 (15)
C61	0.053 (3)	0.053 (4)	0.061 (2)	0.008 (2)	0.0094 (18)	0.001 (2)
C62	0.048 (3)	0.095 (5)	0.061 (3)	0.005 (3)	0.004 (2)	−0.004 (3)
C63	0.057 (4)	0.125 (7)	0.079 (5)	0.006 (4)	0.012 (3)	−0.026 (4)
C64	0.103 (6)	0.137 (8)	0.071 (5)	0.011 (6)	0.035 (4)	−0.005 (5)
C65	0.175 (12)	0.191 (14)	0.061 (6)	0.049 (10)	0.050 (7)	0.054 (8)
C66	0.181 (10)	0.133 (8)	0.065 (5)	0.076 (7)	0.050 (6)	0.048 (5)
C81	0.053 (3)	0.053 (4)	0.061 (2)	0.008 (2)	0.0094 (18)	0.001 (2)
C82	0.130 (8)	0.251 (15)	0.061 (5)	−0.056 (8)	0.008 (5)	0.035 (7)
C83	0.148 (11)	0.33 (2)	0.069 (6)	−0.017 (11)	0.009 (6)	0.042 (9)
C84	0.228 (14)	0.094 (7)	0.069 (6)	0.003 (7)	0.073 (8)	0.013 (5)
C85	0.262 (19)	0.43 (3)	0.101 (9)	−0.17 (2)	0.095 (11)	−0.019 (13)
C86	0.182 (12)	0.38 (2)	0.090 (8)	−0.144 (14)	0.053 (8)	0.004 (10)
N1	0.102 (3)	0.057 (5)	0.0523 (14)	−0.008 (3)	0.001 (3)	−0.008 (3)
C2	0.111 (7)	0.060 (7)	0.064 (4)	−0.011 (4)	0.008 (4)	−0.009 (4)
C3	0.122 (7)	0.062 (7)	0.056 (4)	−0.017 (5)	0.014 (4)	−0.009 (5)
C4	0.086 (3)	0.047 (4)	0.0445 (16)	0.000 (3)	−0.006 (2)	−0.003 (3)
C5	0.126 (11)	0.068 (4)	0.049 (4)	−0.016 (6)	0.000 (5)	−0.001 (3)
C6	0.109 (10)	0.085 (3)	0.058 (3)	−0.020 (7)	0.017 (6)	−0.011 (2)
N1A	0.102 (3)	0.057 (5)	0.0523 (14)	−0.008 (3)	0.001 (3)	−0.008 (3)
C2A	0.111 (7)	0.060 (7)	0.064 (4)	−0.011 (4)	0.008 (4)	−0.009 (4)
C3A	0.122 (7)	0.062 (7)	0.056 (4)	−0.017 (5)	0.014 (4)	−0.009 (5)
C4A	0.086 (3)	0.047 (4)	0.0445 (16)	0.000 (3)	−0.006 (2)	−0.003 (3)
C5A	0.126 (11)	0.068 (4)	0.049 (4)	−0.016 (6)	0.000 (5)	−0.001 (3)
C6A	0.109 (10)	0.085 (3)	0.058 (3)	−0.020 (7)	0.017 (6)	−0.011 (2)

Geometric parameters (Å, º)

Si1—O1	1.6366 (17)	C73—H73	0.95
Si1—C21	1.8855 (15)	C74—C75	1.39
Si1—C31	1.8869 (15)	C74—H74	0.95
Si1—C11	1.8912 (14)	C75—C76	1.39
O1—H1	0.84	C75—H75	0.95
C11—C12	1.39	C76—H76	0.95
C11—C16	1.39	C51—C52	1.380 (4)
C12—C13	1.39	C51—C56	1.392 (4)
C12—H12	0.95	C52—C53	1.390 (5)
C13—C14	1.39	C52—H52	0.95
C13—H13	0.95	C53—C54	1.341 (6)
C14—C15	1.39	C53—H53	0.95
C14—H14	0.95	C54—C55	1.360 (6)
C15—C16	1.39	C54—H54	0.95
C15—H15	0.95	C55—C56	1.383 (5)
C16—H16	0.95	C55—H55	0.95
C21—C22	1.39	C56—H56	0.95
C21—C26	1.39	C61—C62	1.39
C22—C23	1.39	C61—C66	1.39
C22—H22	0.95	C62—C63	1.39
C23—C24	1.39	C62—H62	0.95
C23—H23	0.95	C63—C64	1.39
C24—C25	1.39	C63—H63	0.95
C24—H24	0.95	C64—C65	1.39
C25—C26	1.39	C64—H64	0.95
C25—H25	0.95	C65—C66	1.39
C26—H26	0.95	C65—H65	0.95
C31—C32	1.39	C66—H66	0.95
C31—C36	1.39	C81—C82	1.39
C32—C33	1.39	C81—C86	1.39
C32—H32	0.95	C82—C83	1.39
C33—C34	1.39	C82—H82	0.95
C33—H33	0.95	C83—C84	1.39
C34—C35	1.39	C83—H83	0.95
C34—H34	0.95	C84—C85	1.39
C35—C36	1.39	C84—H84	0.95
C35—H35	0.95	C85—C86	1.39
C36—H36	0.95	C85—H85	0.95
Si2—O2	1.629 (2)	C86—H86	0.95
Si2—C51	1.860 (3)	N1—C6	1.321 (8)
Si2—C41	1.862 (10)	N1—C2	1.333 (8)
Si2—C61	1.883 (3)	C2—C3	1.391 (8)
Si2—C71	1.888 (10)	C2—H2A	0.95
Si2—C81	1.902 (4)	C3—C4	1.382 (8)
O2—H2	0.84	C3—H3	0.95
C41—C42	1.39	C4—C5	1.379 (8)
C41—C46	1.39	C4—C4A	1.490 (4)
C42—C43	1.39	C5—C6	1.381 (8)
C42—H42	0.95	C5—H5	0.95
C43—C44	1.39	C6—H6	0.95
C43—H43	0.95	N1A—C2A	1.314 (8)
C44—C45	1.39	N1A—C6A	1.340 (8)
C44—H44	0.95	C2A—C3A	1.383 (8)
C45—C46	1.39	C2A—H2A1	0.95
C45—H45	0.95	C3A—C4A	1.370 (8)
C46—H46	0.95	C3A—H3A	0.95
C71—C72	1.39	C4A—C5A	1.387 (8)
C71—C76	1.39	C5A—C6A	1.387 (8)
C72—C73	1.39	C5A—H5A	0.95
C72—H72	0.95	C6A—H6A	0.95
C73—C74	1.39
O1—Si1—C21	106.96 (9)	C72—C73—C74	120.0
O1—Si1—C31	111.93 (10)	C72—C73—H73	120.0
C21—Si1—C31	109.32 (8)	C74—C73—H73	120.0
O1—Si1—C11	108.98 (9)	C73—C74—C75	120.0
C21—Si1—C11	110.18 (8)	C73—C74—H74	120.0
C31—Si1—C11	109.43 (8)	C75—C74—H74	120.0
Si1—O1—H1	109.5	C76—C75—C74	120.0
C12—C11—C16	120.0	C76—C75—H75	120.0
C12—C11—Si1	118.18 (9)	C74—C75—H75	120.0
C16—C11—Si1	121.82 (9)	C75—C76—C71	120.0
C13—C12—C11	120.0	C75—C76—H76	120.0
C13—C12—H12	120.0	C71—C76—H76	120.0
C11—C12—H12	120.0	C52—C51—C56	116.5 (3)
C14—C13—C12	120.0	C52—C51—Si2	121.1 (2)
C14—C13—H13	120.0	C56—C51—Si2	122.4 (2)
C12—C13—H13	120.0	C51—C52—C53	121.2 (4)
C13—C14—C15	120.0	C51—C52—H52	119.4
C13—C14—H14	120.0	C53—C52—H52	119.4
C15—C14—H14	120.0	C54—C53—C52	120.9 (4)
C14—C15—C16	120.0	C54—C53—H53	119.5
C14—C15—H15	120.0	C52—C53—H53	119.5
C16—C15—H15	120.0	C53—C54—C55	119.7 (4)
C15—C16—C11	120.0	C53—C54—H54	120.1
C15—C16—H16	120.0	C55—C54—H54	120.1
C11—C16—H16	120.0	C54—C55—C56	120.2 (4)
C22—C21—C26	120.0	C54—C55—H55	119.9
C22—C21—Si1	119.79 (9)	C56—C55—H55	119.9
C26—C21—Si1	120.21 (9)	C55—C56—C51	121.5 (3)
C21—C22—C23	120.0	C55—C56—H56	119.3
C21—C22—H22	120.0	C51—C56—H56	119.3
C23—C22—H22	120.0	C62—C61—C66	120.0
C22—C23—C24	120.0	C62—C61—Si2	123.7 (3)
C22—C23—H23	120.0	C66—C61—Si2	116.3 (3)
C24—C23—H23	120.0	C61—C62—C63	120.0
C25—C24—C23	120.0	C61—C62—H62	120.0
C25—C24—H24	120.0	C63—C62—H62	120.0
C23—C24—H24	120.0	C64—C63—C62	120.0
C24—C25—C26	120.0	C64—C63—H63	120.0
C24—C25—H25	120.0	C62—C63—H63	120.0
C26—C25—H25	120.0	C63—C64—C65	120.0
C25—C26—C21	120.0	C63—C64—H64	120.0
C25—C26—H26	120.0	C65—C64—H64	120.0
C21—C26—H26	120.0	C66—C65—C64	120.0
C32—C31—C36	120.0	C66—C65—H65	120.0
C32—C31—Si1	119.91 (10)	C64—C65—H65	120.0
C36—C31—Si1	119.95 (10)	C65—C66—C61	120.0
C31—C32—C33	120.0	C65—C66—H66	120.0
C31—C32—H32	120.0	C61—C66—H66	120.0
C33—C32—H32	120.0	C82—C81—C86	120.0
C34—C33—C32	120.0	C82—C81—Si2	121.2 (3)
C34—C33—H33	120.0	C86—C81—Si2	118.7 (3)
C32—C33—H33	120.0	C83—C82—C81	120.0
C33—C34—C35	120.0	C83—C82—H82	120.0
C33—C34—H34	120.0	C81—C82—H82	120.0
C35—C34—H34	120.0	C84—C83—C82	120.0
C36—C35—C34	120.0	C84—C83—H83	120.0
C36—C35—H35	120.0	C82—C83—H83	120.0
C34—C35—H35	120.0	C83—C84—C85	120.0
C35—C36—C31	120.0	C83—C84—H84	120.0
C35—C36—H36	120.0	C85—C84—H84	120.0
C31—C36—H36	120.0	C86—C85—C84	120.0
O2—Si2—C51	110.00 (13)	C86—C85—H85	120.0
O2—Si2—C41	111.6 (4)	C84—C85—H85	120.0
C51—Si2—C41	109.7 (5)	C85—C86—C81	120.0
O2—Si2—C61	97.60 (16)	C85—C86—H86	120.0
C51—Si2—C61	111.01 (18)	C81—C86—H86	120.0
C41—Si2—C61	116.3 (4)	C6—N1—C2	120 (2)
O2—Si2—C71	108.8 (4)	N1—C2—C3	122.0 (19)
C51—Si2—C71	111.2 (5)	N1—C2—H2A	119.0
C61—Si2—C71	117.3 (5)	C3—C2—H2A	119.0
O2—Si2—C81	116.2 (2)	C4—C3—C2	121 (2)
C51—Si2—C81	105.66 (19)	C4—C3—H3	119.7
C41—Si2—C81	103.2 (4)	C2—C3—H3	119.7
C71—Si2—C81	104.9 (4)	C5—C4—C3	114 (3)
Si2—O2—H2	109.5	C5—C4—C4A	123.7 (14)
C42—C41—C46	120.0	C3—C4—C4A	122.3 (14)
C42—C41—Si2	116.9 (9)	C4—C5—C6	125 (2)
C46—C41—Si2	123.0 (8)	C4—C5—H5	117.7
C43—C42—C41	120.0	C6—C5—H5	117.7
C43—C42—H42	120.0	N1—C6—C5	119 (2)
C41—C42—H42	120.0	N1—C6—H6	120.6
C42—C43—C44	120.0	C5—C6—H6	120.6
C42—C43—H43	120.0	C2A—N1A—C6A	114 (2)
C44—C43—H43	120.0	N1A—C2A—C3A	125.3 (19)
C45—C44—C43	120.0	N1A—C2A—H2A1	117.3
C45—C44—H44	120.0	C3A—C2A—H2A1	117.3
C43—C44—H44	120.0	C4A—C3A—C2A	119 (2)
C44—C45—C46	120.0	C4A—C3A—H3A	120.7
C44—C45—H45	120.0	C2A—C3A—H3A	120.7
C46—C45—H45	120.0	C3A—C4A—C5A	119 (3)
C45—C46—C41	120.0	C3A—C4A—C4	120.6 (14)
C45—C46—H46	120.0	C5A—C4A—C4	120.0 (14)
C41—C46—H46	120.0	C4A—C5A—C6A	116 (2)
C72—C71—C76	120.0	C4A—C5A—H5A	122.2
C72—C71—Si2	120.4 (9)	C6A—C5A—H5A	122.2
C76—C71—Si2	119.6 (9)	N1A—C6A—C5A	127 (2)
C73—C72—C71	120.0	N1A—C6A—H6A	116.4
C73—C72—H72	120.0	C5A—C6A—H6A	116.4
C71—C72—H72	120.0
O1—Si1—C11—C12	36.84 (12)	C72—C71—C76—C75	0.0
C21—Si1—C11—C12	−80.23 (11)	Si2—C71—C76—C75	−177.9 (7)
C31—Si1—C11—C12	159.54 (9)	O2—Si2—C51—C52	3.2 (3)
O1—Si1—C11—C16	−143.27 (11)	C41—Si2—C51—C52	126.4 (4)
C21—Si1—C11—C16	99.65 (11)	C61—Si2—C51—C52	−103.7 (3)
C31—Si1—C11—C16	−20.58 (12)	C71—Si2—C51—C52	123.8 (4)
C16—C11—C12—C13	0.0	C81—Si2—C51—C52	−122.9 (3)
Si1—C11—C12—C13	179.88 (12)	O2—Si2—C51—C56	−179.2 (2)
C11—C12—C13—C14	0.0	C41—Si2—C51—C56	−56.0 (4)
C12—C13—C14—C15	0.0	C61—Si2—C51—C56	73.9 (3)
C13—C14—C15—C16	0.0	C71—Si2—C51—C56	−58.6 (4)
C14—C15—C16—C11	0.0	C81—Si2—C51—C56	54.6 (3)
C12—C11—C16—C15	0.0	C56—C51—C52—C53	−1.3 (5)
Si1—C11—C16—C15	−179.88 (12)	Si2—C51—C52—C53	176.4 (3)
O1—Si1—C21—C22	57.50 (13)	C51—C52—C53—C54	0.0 (6)
C31—Si1—C21—C22	−63.88 (12)	C52—C53—C54—C55	1.2 (6)
C11—Si1—C21—C22	175.82 (10)	C53—C54—C55—C56	−1.2 (6)
O1—Si1—C21—C26	−122.60 (12)	C54—C55—C56—C51	−0.2 (5)
C31—Si1—C21—C26	116.01 (11)	C52—C51—C56—C55	1.4 (4)
C11—Si1—C21—C26	−4.28 (12)	Si2—C51—C56—C55	−176.2 (2)
C26—C21—C22—C23	0.0	O2—Si2—C61—C62	−4.0 (3)
Si1—C21—C22—C23	179.89 (12)	C51—Si2—C61—C62	110.9 (3)
C21—C22—C23—C24	0.0	C41—Si2—C61—C62	−122.8 (5)
C22—C23—C24—C25	0.0	C71—Si2—C61—C62	−119.8 (5)
C23—C24—C25—C26	0.0	C81—Si2—C61—C62	−172.2 (10)
C24—C25—C26—C21	0.0	O2—Si2—C61—C66	174.5 (3)
C22—C21—C26—C25	0.0	C51—Si2—C61—C66	−70.6 (3)
Si1—C21—C26—C25	−179.89 (13)	C41—Si2—C61—C66	55.8 (5)
O1—Si1—C31—C32	48.06 (14)	C71—Si2—C61—C66	58.7 (5)
C21—Si1—C31—C32	166.38 (11)	C81—Si2—C61—C66	6.3 (7)
C11—Si1—C31—C32	−72.87 (12)	C66—C61—C62—C63	0.0
O1—Si1—C31—C36	−136.22 (12)	Si2—C61—C62—C63	178.5 (4)
C21—Si1—C31—C36	−17.89 (13)	C61—C62—C63—C64	0.0
C11—Si1—C31—C36	102.86 (12)	C62—C63—C64—C65	0.0
C36—C31—C32—C33	0.0	C63—C64—C65—C66	0.0
Si1—C31—C32—C33	175.73 (14)	C64—C65—C66—C61	0.0
C31—C32—C33—C34	0.0	C62—C61—C66—C65	0.0
C32—C33—C34—C35	0.0	Si2—C61—C66—C65	−178.6 (4)
C33—C34—C35—C36	0.0	O2—Si2—C81—C82	78.6 (5)
C34—C35—C36—C31	0.0	C51—Si2—C81—C82	−159.1 (5)
C32—C31—C36—C35	0.0	C41—Si2—C81—C82	−43.9 (7)
Si1—C31—C36—C35	−175.72 (14)	C61—Si2—C81—C82	91.6 (10)
O2—Si2—C41—C42	−86.8 (5)	C71—Si2—C81—C82	−41.6 (7)
C51—Si2—C41—C42	151.0 (5)	O2—Si2—C81—C86	−97.2 (5)
C61—Si2—C41—C42	23.9 (7)	C51—Si2—C81—C86	25.0 (5)
C71—Si2—C41—C42	−88 (20)	C41—Si2—C81—C86	140.3 (7)
C81—Si2—C41—C42	38.7 (6)	C61—Si2—C81—C86	−84.2 (10)
O2—Si2—C41—C46	89.8 (6)	C71—Si2—C81—C86	142.6 (7)
C51—Si2—C41—C46	−32.4 (6)	C86—C81—C82—C83	0.0
C61—Si2—C41—C46	−159.4 (5)	Si2—C81—C82—C83	−175.8 (5)
C71—Si2—C41—C46	89 (19)	C81—C82—C83—C84	0.0
C81—Si2—C41—C46	−144.7 (5)	C82—C83—C84—C85	0.0
C46—C41—C42—C43	0.0	C83—C84—C85—C86	0.0
Si2—C41—C42—C43	176.7 (8)	C84—C85—C86—C81	0.0
C41—C42—C43—C44	0.0	C82—C81—C86—C85	0.0
C42—C43—C44—C45	0.0	Si2—C81—C86—C85	175.9 (4)
C43—C44—C45—C46	0.0	C6—N1—C2—C3	0.5 (3)
C44—C45—C46—C41	0.0	N1—C2—C3—C4	0.2 (2)
C42—C41—C46—C45	0.0	C2—C3—C4—C5	−0.8 (5)
Si2—C41—C46—C45	−176.5 (9)	C2—C3—C4—C4A	179.9 (2)
O2—Si2—C71—C72	−62.6 (5)	C3—C4—C5—C6	0.8 (8)
C51—Si2—C71—C72	176.1 (4)	C4A—C4—C5—C6	−179.9 (5)
C41—Si2—C71—C72	116 (20)	C2—N1—C6—C5	−0.6 (6)
C61—Si2—C71—C72	46.9 (6)	C4—C5—C6—N1	−0.1 (9)
C81—Si2—C71—C72	62.4 (5)	C6A—N1A—C2A—C3A	−0.4 (3)
O2—Si2—C71—C76	115.3 (5)	N1A—C2A—C3A—C4A	−0.3 (2)
C51—Si2—C71—C76	−6.0 (6)	C2A—C3A—C4A—C5A	1.1 (5)
C41—Si2—C71—C76	−66 (19)	C2A—C3A—C4A—C4	−179.9 (2)
C61—Si2—C71—C76	−135.2 (5)	C5—C4—C4A—C3A	−26.5 (10)
C81—Si2—C71—C76	−119.7 (5)	C3—C4—C4A—C3A	152.7 (9)
C76—C71—C72—C73	0.0	C5—C4—C4A—C5A	152.6 (9)
Si2—C71—C72—C73	177.9 (7)	C3—C4—C4A—C5A	−28.2 (10)
C71—C72—C73—C74	0.0	C3A—C4A—C5A—C6A	−1.2 (7)
C72—C73—C74—C75	0.0	C4—C4A—C5A—C6A	179.8 (4)
C73—C74—C75—C76	0.0	C2A—N1A—C6A—C5A	0.2 (7)
C74—C75—C76—C71	0.0	C4A—C5A—C6A—N1A	0.5 (9)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1	0.84	1.98	2.79 (3)	163
O1—H1···N1A^i	0.84	1.84	2.64 (3)	157
O2—H2···O1	0.84	1.97	2.748 (3)	154

Symmetry code: (i) −x+1, −y+1, −z+1.

(III) Triphenylsilanol–4,4'-bipyridyl (4/1), polymorph with Z' = 1

Crystal data

4(C18H16OSi)·C10H8N2	Z = 2
Mr = 1261.78	F(000) = 1332
Triclinic, P1	Dx = 1.226 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.1595 (19) Å	Cell parameters from 30132 reflections
b = 18.370 (4) Å	θ = 2.6–27.5°
c = 20.490 (4) Å	µ = 0.14 mm^−1
α = 66.75 (3)°	T = 150 K
β = 77.35 (3)°	Block, colourless
γ = 80.95 (3)°	0.36 × 0.30 × 0.15 mm
V = 3417.5 (14) Å^3

Data collection

Kappa-CCD diffractometer	8682 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.093
Graphite monochromator	θmax = 27.5°, θmin = 2.6°
ϕ scans, and ω scans with κ offsets	h = −13→13
48587 measured reflections	k = −23→23
15662 independent reflections	l = −26→26

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)] = 0.060	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.185	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0738P)^2 + 1.2408P] where P = (Fo^2 + 2Fc^2)/3
15662 reflections	(Δ/σ)max = 0.001
856 parameters	Δρmax = 0.41 e Å^−3
60 restraints	Δρmin = −0.41 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Si11	0.02900 (6)	0.37623 (4)	0.84677 (3)	0.02640 (16)
O11	0.03939 (15)	0.44913 (11)	0.76771 (8)	0.0345 (4)
C111	0.2005 (2)	0.35187 (15)	0.87297 (12)	0.0273 (5)
C112	0.2839 (2)	0.41295 (17)	0.85505 (13)	0.0364 (6)
C113	0.4128 (2)	0.39822 (18)	0.87178 (14)	0.0415 (7)
C114	0.4617 (2)	0.32065 (19)	0.90806 (14)	0.0415 (7)
C115	0.3807 (2)	0.25912 (17)	0.92770 (14)	0.0396 (6)
C116	0.2515 (2)	0.27422 (16)	0.90976 (12)	0.0328 (5)
C121	−0.0943 (2)	0.41289 (14)	0.91133 (12)	0.0267 (5)
C122	−0.2273 (2)	0.43926 (16)	0.90046 (13)	0.0356 (6)
C123	−0.3190 (2)	0.46716 (18)	0.94793 (15)	0.0433 (7)
C124	−0.2802 (3)	0.46859 (17)	1.00799 (14)	0.0398 (6)
C125	−0.1495 (3)	0.44275 (16)	1.02033 (13)	0.0380 (6)
C126	−0.0577 (2)	0.41494 (15)	0.97223 (12)	0.0321 (5)
C131	−0.0319 (2)	0.28588 (14)	0.84620 (13)	0.0299 (5)
C132	0.0227 (3)	0.25548 (19)	0.79263 (16)	0.0462 (7)
C133	−0.0182 (3)	0.1851 (2)	0.79526 (19)	0.0555 (9)
C134	−0.1144 (3)	0.14415 (18)	0.85151 (19)	0.0536 (8)
C135	−0.1720 (3)	0.17392 (18)	0.90451 (17)	0.0513 (8)
C136	−0.1308 (3)	0.24349 (16)	0.90206 (14)	0.0388 (6)
Si12	−0.22520 (7)	0.57209 (4)	0.65680 (4)	0.03608 (19)
O12	−0.10023 (18)	0.58213 (11)	0.69007 (12)	0.0508 (5)
C141	−0.2164 (3)	0.47068 (16)	0.65569 (14)	0.0399 (6)
C142	−0.2904 (4)	0.41110 (19)	0.70805 (18)	0.0620 (9)
C143	−0.2753 (4)	0.3347 (2)	0.7079 (2)	0.0771 (11)
C144	−0.1856 (4)	0.3184 (2)	0.6529 (2)	0.0757 (12)
C145	−0.1116 (4)	0.3769 (3)	0.6006 (3)	0.0852 (13)
C146	−0.1254 (3)	0.4500 (2)	0.6034 (2)	0.0710 (11)
C151	−0.3892 (2)	0.59345 (15)	0.71148 (12)	0.0334 (6)
C152	−0.3907 (3)	0.61933 (18)	0.76670 (15)	0.0459 (7)
C153	−0.5126 (3)	0.6391 (2)	0.80575 (18)	0.0613 (9)
C154	−0.6329 (3)	0.6324 (2)	0.78970 (18)	0.0660 (11)
C155	−0.6342 (3)	0.6060 (2)	0.73600 (18)	0.0639 (10)
C156	−0.5141 (3)	0.58638 (19)	0.69741 (15)	0.0501 (8)
C161	−0.1971 (2)	0.65216 (13)	0.56327 (10)	0.0427 (9)	0.753 (3)
C162	−0.0968 (2)	0.70442 (15)	0.54169 (12)	0.0445 (9)	0.753 (3)
C163	−0.0790 (3)	0.76198 (13)	0.47232 (14)	0.0611 (13)	0.753 (3)
C164	−0.1617 (3)	0.76729 (16)	0.42453 (11)	0.0778 (17)	0.753 (3)
C165	−0.2620 (3)	0.7150 (2)	0.44611 (13)	0.090 (2)	0.753 (3)
C166	−0.2798 (2)	0.65747 (17)	0.51548 (14)	0.0699 (16)	0.753 (3)
C171	−0.2494 (9)	0.6352 (4)	0.5598 (3)	0.0537 (17)*	0.247 (3)
C172	−0.2309 (7)	0.6066 (4)	0.5047 (4)	0.0537 (17)*	0.247 (3)
C173	−0.2392 (8)	0.6591 (4)	0.4346 (3)	0.0537 (17)*	0.247 (3)
C174	−0.2660 (9)	0.7401 (4)	0.4197 (3)	0.0537 (17)*	0.247 (3)
C175	−0.2845 (8)	0.7686 (4)	0.4748 (4)	0.0537 (17)*	0.247 (3)
C176	−0.2762 (8)	0.7162 (5)	0.5449 (3)	0.0537 (17)*	0.247 (3)
N11	0.2552 (12)	0.4592 (11)	0.6643 (13)	0.047 (2)	0.50
C12	0.237 (2)	0.5125 (11)	0.5992 (12)	0.052 (2)	0.50
C13	0.3313 (19)	0.5307 (11)	0.5357 (14)	0.049 (2)	0.50
C14	0.4620 (18)	0.4943 (9)	0.5305 (7)	0.036 (2)	0.50
C15	0.4833 (7)	0.4423 (6)	0.5988 (4)	0.0521 (18)	0.50
C16	0.3829 (8)	0.4268 (7)	0.6597 (5)	0.058 (2)	0.50
N11A	0.7549 (13)	0.5403 (10)	0.3473 (13)	0.047 (2)	0.50
C12A	0.764 (2)	0.4694 (11)	0.4011 (13)	0.052 (2)	0.50
C13A	0.6684 (19)	0.4512 (11)	0.4639 (14)	0.049 (2)	0.50
C14A	0.5669 (18)	0.5116 (8)	0.4639 (7)	0.036 (2)	0.50
C15A	0.5550 (7)	0.5846 (6)	0.4075 (4)	0.0521 (18)	0.50
C16A	0.6546 (8)	0.5973 (7)	0.3465 (4)	0.058 (2)	0.50
Si21	0.02283 (6)	0.88068 (4)	0.84087 (3)	0.02534 (16)
O21	0.03019 (15)	0.95383 (10)	0.76195 (8)	0.0340 (4)
C211	0.1948 (2)	0.85694 (15)	0.86643 (12)	0.0280 (5)
C212	0.2755 (2)	0.91926 (17)	0.85082 (14)	0.0378 (6)
C213	0.4032 (2)	0.9047 (2)	0.86948 (15)	0.0455 (7)
C214	0.4533 (2)	0.8276 (2)	0.90422 (14)	0.0448 (7)
C215	0.3752 (2)	0.76518 (18)	0.92104 (14)	0.0426 (7)
C216	0.2479 (2)	0.77975 (16)	0.90180 (12)	0.0342 (6)
C221	−0.0994 (2)	0.91614 (14)	0.90677 (12)	0.0279 (5)
C222	−0.2336 (2)	0.94181 (16)	0.89724 (14)	0.0363 (6)
C223	−0.3238 (2)	0.96791 (18)	0.94636 (15)	0.0451 (7)
C224	−0.2822 (3)	0.96832 (18)	1.00619 (14)	0.0428 (7)
C225	−0.1509 (2)	0.94328 (16)	1.01726 (13)	0.0381 (6)
C226	−0.0603 (2)	0.91778 (15)	0.96756 (12)	0.0314 (5)
C231	−0.0352 (2)	0.78910 (14)	0.84083 (12)	0.0285 (5)
C232	0.0260 (3)	0.75782 (18)	0.78853 (15)	0.0424 (7)
C233	−0.0097 (3)	0.6875 (2)	0.7904 (2)	0.0570 (9)
C234	−0.1078 (3)	0.64564 (18)	0.84556 (19)	0.0538 (8)
C235	−0.1707 (3)	0.67549 (17)	0.89712 (17)	0.0492 (7)
C236	−0.1349 (2)	0.74625 (16)	0.89495 (14)	0.0375 (6)
Si22	−0.24518 (7)	1.07233 (4)	0.65193 (4)	0.03444 (18)
O22	−0.10820 (18)	1.08378 (12)	0.67422 (12)	0.0527 (5)
C241	−0.2476 (6)	0.9696 (3)	0.6552 (3)	0.0384 (7)	0.50
C242	−0.3034 (5)	0.9116 (4)	0.7190 (2)	0.0447 (15)	0.50
C243	−0.3019 (7)	0.8341 (4)	0.7230 (3)	0.0633 (17)	0.50
C244	−0.2446 (8)	0.8148 (2)	0.6632 (3)	0.0755 (17)	0.50
C245	−0.1889 (6)	0.8729 (3)	0.5994 (3)	0.0732 (16)	0.50
C246	−0.1904 (5)	0.9503 (2)	0.5954 (2)	0.0586 (13)	0.50
C271	−0.2409 (5)	0.9636 (2)	0.6644 (3)	0.0384 (7)	0.50
C272	−0.3457 (4)	0.9168 (4)	0.7077 (3)	0.0447 (15)	0.50
C273	−0.3387 (6)	0.8376 (4)	0.7157 (3)	0.0633 (17)	0.50
C274	−0.2269 (8)	0.8052 (2)	0.6805 (4)	0.0755 (17)	0.50
C275	−0.1220 (6)	0.8521 (3)	0.6373 (3)	0.0732 (16)	0.50
C276	−0.1290 (4)	0.9313 (3)	0.6293 (2)	0.0586 (13)	0.50
C251	−0.3983 (2)	1.09910 (15)	0.71002 (12)	0.0323 (5)
C252	−0.3860 (3)	1.12630 (18)	0.76233 (15)	0.0461 (7)
C253	−0.4980 (4)	1.1502 (2)	0.80287 (18)	0.0657 (10)
C254	−0.6253 (3)	1.1473 (2)	0.79304 (16)	0.0604 (9)
C255	−0.6415 (3)	1.1197 (2)	0.74232 (18)	0.0637 (10)
C256	−0.5290 (3)	1.0956 (2)	0.70095 (16)	0.0514 (8)
C261	−0.2550 (3)	1.13845 (15)	0.55377 (9)	0.0328 (8)	0.726 (4)
C262	−0.1635 (3)	1.12343 (18)	0.49837 (13)	0.083 (2)	0.726 (4)
C263	−0.1701 (4)	1.1718 (2)	0.42697 (11)	0.106 (3)	0.726 (4)
C264	−0.2682 (4)	1.2352 (2)	0.41098 (10)	0.086 (2)	0.726 (4)
C265	−0.3596 (3)	1.2502 (2)	0.46638 (14)	0.106 (3)	0.726 (4)
C266	−0.3530 (3)	1.20184 (18)	0.53777 (12)	0.0755 (18)	0.726 (4)
C281	−0.2172 (7)	1.1585 (4)	0.5632 (3)	0.0480 (14)*	0.274 (4)
C282	−0.1038 (6)	1.2017 (4)	0.5398 (3)	0.0480 (14)*	0.274 (4)
C283	−0.0849 (6)	1.2613 (4)	0.4715 (3)	0.0480 (14)*	0.274 (4)
C284	−0.1795 (7)	1.2778 (4)	0.4267 (2)	0.0480 (14)*	0.274 (4)
C285	−0.2929 (6)	1.2346 (4)	0.4502 (3)	0.0480 (14)*	0.274 (4)
C286	−0.3117 (6)	1.1749 (4)	0.5184 (4)	0.0480 (14)*	0.274 (4)
N21	0.2489 (11)	0.9540 (4)	0.6541 (5)	0.0444 (11)	0.50
C22	0.2601 (5)	1.0272 (4)	0.6035 (3)	0.0463 (13)	0.50
C23	0.3629 (5)	1.0453 (4)	0.5435 (3)	0.0462 (12)	0.50
C24	0.4626 (8)	0.9868 (4)	0.5360 (5)	0.0316 (13)	0.50
C25	0.4499 (7)	0.9106 (4)	0.5881 (4)	0.0451 (16)	0.50
C26	0.3436 (8)	0.8972 (5)	0.6460 (4)	0.0502 (17)	0.50
N21A	0.7716 (10)	1.0323 (5)	0.3479 (4)	0.0444 (11)	0.50
C22A	0.7939 (5)	0.9789 (4)	0.4123 (3)	0.0463 (13)	0.50
C23A	0.6969 (5)	0.9621 (4)	0.4747 (3)	0.0462 (12)	0.50
C24A	0.5707 (7)	1.0037 (6)	0.4708 (5)	0.0316 (13)	0.50
C25A	0.5461 (7)	1.0568 (4)	0.4035 (4)	0.0451 (16)	0.50
C26A	0.6484 (8)	1.0705 (5)	0.3436 (4)	0.0502 (17)	0.50
H11	0.1078	0.4397	0.7399	0.052*
H112	0.2512	0.4662	0.8306	0.044*
H113	0.4676	0.4410	0.8585	0.050*
H114	0.5504	0.3101	0.9193	0.050*
H115	0.4130	0.2062	0.9536	0.048*
H116	0.1974	0.2312	0.9227	0.039*
H122	−0.2555	0.4381	0.8597	0.043*
H123	−0.4086	0.4853	0.9392	0.052*
H124	−0.3433	0.4873	1.0407	0.048*
H125	−0.1222	0.4439	1.0614	0.046*
H126	0.0319	0.3970	0.9812	0.039*
H132	0.0890	0.2832	0.7536	0.055*
H133	0.0203	0.1654	0.7582	0.067*
H134	−0.1409	0.0957	0.8538	0.064*
H135	−0.2400	0.1466	0.9427	0.062*
H136	−0.1705	0.2629	0.9391	0.047*
H12	−0.0703	0.5372	0.7163	0.076*
H142	−0.3534	0.4225	0.7452	0.074*
H143	−0.3259	0.2940	0.7451	0.093*
H144	−0.1756	0.2666	0.6517	0.091*
H145	−0.0507	0.3663	0.5624	0.102*
H146	−0.0700	0.4892	0.5677	0.085*
H152	−0.3075	0.6237	0.7783	0.055*
H153	−0.5118	0.6571	0.8432	0.074*
H154	−0.7158	0.6462	0.8159	0.079*
H155	−0.7180	0.6012	0.7253	0.077*
H156	−0.5165	0.5677	0.6606	0.060*
H162	−0.0403	0.7008	0.5744	0.053*	0.753 (3)
H163	−0.0104	0.7977	0.4576	0.073*	0.753 (3)
H164	−0.1495	0.8066	0.3771	0.093*	0.753 (3)
H165	−0.3185	0.7187	0.4135	0.108*	0.753 (3)
H166	−0.3484	0.6218	0.5302	0.084*	0.753 (3)
H172	−0.2125	0.5512	0.5149	0.064*	0.247 (3)
H173	−0.2266	0.6395	0.3969	0.064*	0.247 (3)
H174	−0.2717	0.7759	0.3718	0.064*	0.247 (3)
H175	−0.3028	0.8240	0.4646	0.064*	0.247 (3)
H176	−0.2888	0.7357	0.5826	0.064*	0.247 (3)
H12C	0.1505	0.5409	0.5960	0.063*	0.50
H13	0.3050	0.5705	0.4932	0.058*	0.50
H15	0.5709	0.4159	0.6042	0.063*	0.50
H16	0.4079	0.3887	0.7034	0.069*	0.50
H12A	0.8371	0.4314	0.3962	0.063*	0.50
H14A	0.6719	0.4018	0.5034	0.058*	0.50
H15A	0.4829	0.6235	0.4106	0.063*	0.50
H16A	0.6516	0.6451	0.3053	0.069*	0.50
H21	0.1006	0.9463	0.7343	0.051*
H212	0.2419	0.9725	0.8270	0.045*
H213	0.4560	0.9477	0.8584	0.055*
H214	0.5411	0.8174	0.9165	0.054*
H215	0.4088	0.7122	0.9458	0.051*
H216	0.1960	0.7363	0.9129	0.041*
H222	−0.2633	0.9413	0.8566	0.044*
H223	−0.4143	0.9856	0.9390	0.054*
H224	−0.3445	0.9860	1.0398	0.051*
H225	−0.1226	0.9434	1.0584	0.046*
H226	0.0303	0.9011	0.9751	0.038*
H232	0.0940	0.7856	0.7507	0.051*
H233	0.0328	0.6678	0.7539	0.068*
H234	−0.1311	0.5966	0.8476	0.065*
H235	−0.2392	0.6476	0.9345	0.059*
H236	−0.1794	0.7661	0.9312	0.045*
H22	−0.0898	1.0437	0.7100	0.079*
H242	−0.3425	0.9248	0.7598	0.054*	0.50
H243	−0.3400	0.7944	0.7666	0.076*	0.50
H244	−0.2436	0.7619	0.6659	0.091*	0.50
H245	−0.1498	0.8596	0.5585	0.088*	0.50
H246	−0.1523	0.9900	0.5518	0.070*	0.50
H272	−0.4222	0.9390	0.7317	0.054*	0.50
H273	−0.4104	0.8056	0.7452	0.076*	0.50
H274	−0.2221	0.7511	0.6860	0.091*	0.50
H275	−0.0456	0.8299	0.6132	0.088*	0.50
H276	−0.0574	0.9633	0.5997	0.070*	0.50
H252	−0.2984	1.1285	0.7704	0.055*
H253	−0.4864	1.1691	0.8381	0.079*
H254	−0.7021	1.1642	0.8211	0.072*
H255	−0.7298	1.1172	0.7354	0.076*
H256	−0.5413	1.0764	0.6661	0.062*
H262	−0.0965	1.0801	0.5093	0.100*	0.726 (4)
H263	−0.1077	1.1615	0.3891	0.127*	0.726 (4)
H264	−0.2727	1.2683	0.3622	0.103*	0.726 (4)
H265	−0.4266	1.2935	0.4554	0.127*	0.726 (4)
H266	−0.4155	1.2121	0.5756	0.091*	0.726 (4)
H282	−0.0392	1.1905	0.5704	0.058*	0.274 (4)
H283	−0.0074	1.2909	0.4555	0.058*	0.274 (4)
H284	−0.1666	1.3185	0.3801	0.058*	0.274 (4)
H285	−0.3575	1.2458	0.4196	0.058*	0.274 (4)
H286	−0.3892	1.1454	0.5345	0.058*	0.274 (4)
H22C	0.1950	1.0685	0.6088	0.056*	0.50
H23	0.3648	1.0976	0.5078	0.055*	0.50
H25	0.5134	0.8680	0.5841	0.054*	0.50
H26C	0.3377	0.8450	0.6818	0.060*	0.50
H22A	0.8808	0.9511	0.4156	0.056*	0.50
H23A	0.7167	0.9228	0.5190	0.055*	0.50
H25A	0.4590	1.0839	0.3984	0.054*	0.50
H26A	0.6303	1.1080	0.2982	0.060*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si11	0.0230 (3)	0.0282 (4)	0.0271 (3)	−0.0026 (2)	−0.0018 (2)	−0.0106 (3)
O11	0.0281 (8)	0.0402 (11)	0.0275 (8)	−0.0006 (7)	0.0008 (7)	−0.0083 (8)
C111	0.0248 (10)	0.0323 (14)	0.0249 (11)	−0.0043 (9)	0.0009 (9)	−0.0128 (10)
C112	0.0308 (12)	0.0380 (16)	0.0389 (13)	−0.0058 (11)	−0.0052 (10)	−0.0122 (12)
C113	0.0311 (12)	0.055 (2)	0.0420 (14)	−0.0143 (12)	−0.0027 (11)	−0.0202 (14)
C114	0.0264 (12)	0.065 (2)	0.0371 (14)	0.0003 (12)	−0.0083 (10)	−0.0228 (14)
C115	0.0361 (13)	0.0452 (18)	0.0368 (14)	0.0080 (12)	−0.0108 (11)	−0.0165 (13)
C116	0.0335 (12)	0.0330 (15)	0.0327 (12)	−0.0008 (10)	−0.0048 (10)	−0.0142 (11)
C121	0.0258 (11)	0.0235 (13)	0.0277 (11)	−0.0040 (9)	−0.0010 (9)	−0.0074 (10)
C122	0.0279 (12)	0.0436 (17)	0.0348 (13)	−0.0018 (10)	−0.0027 (10)	−0.0158 (12)
C123	0.0263 (12)	0.0533 (19)	0.0462 (15)	0.0008 (11)	−0.0001 (11)	−0.0189 (14)
C124	0.0373 (13)	0.0410 (17)	0.0383 (14)	−0.0029 (11)	0.0073 (11)	−0.0190 (13)
C125	0.0425 (14)	0.0402 (17)	0.0318 (13)	−0.0062 (11)	−0.0014 (11)	−0.0156 (12)
C126	0.0308 (12)	0.0350 (15)	0.0308 (12)	−0.0018 (10)	−0.0031 (10)	−0.0141 (11)
C131	0.0251 (11)	0.0306 (14)	0.0378 (13)	0.0013 (9)	−0.0120 (10)	−0.0147 (11)
C132	0.0393 (14)	0.052 (2)	0.0584 (18)	0.0022 (13)	−0.0095 (13)	−0.0341 (16)
C133	0.0551 (18)	0.055 (2)	0.080 (2)	0.0146 (15)	−0.0287 (17)	−0.0481 (19)
C134	0.0560 (18)	0.0344 (18)	0.081 (2)	0.0026 (14)	−0.0385 (17)	−0.0217 (17)
C135	0.0572 (17)	0.0371 (18)	0.0613 (19)	−0.0139 (14)	−0.0218 (15)	−0.0104 (15)
C136	0.0414 (14)	0.0349 (16)	0.0420 (14)	−0.0088 (11)	−0.0112 (11)	−0.0123 (12)
Si12	0.0360 (4)	0.0299 (4)	0.0323 (4)	0.0037 (3)	−0.0027 (3)	−0.0051 (3)
O12	0.0352 (10)	0.0293 (11)	0.0836 (15)	−0.0019 (8)	−0.0130 (10)	−0.0154 (11)
C141	0.0455 (14)	0.0401 (17)	0.0373 (14)	0.0067 (12)	−0.0163 (12)	−0.0166 (12)
C142	0.085 (2)	0.0318 (18)	0.0562 (19)	0.0073 (16)	−0.0053 (17)	−0.0105 (15)
C143	0.114 (3)	0.037 (2)	0.068 (2)	0.001 (2)	−0.021 (2)	−0.0054 (18)
C144	0.107 (3)	0.058 (3)	0.087 (3)	0.036 (2)	−0.060 (2)	−0.048 (2)
C145	0.093 (3)	0.084 (3)	0.100 (3)	−0.006 (2)	−0.002 (2)	−0.065 (3)
C146	0.071 (2)	0.084 (3)	0.080 (2)	−0.0152 (19)	0.0089 (18)	−0.061 (2)
C151	0.0342 (12)	0.0286 (15)	0.0291 (12)	−0.0016 (10)	−0.0043 (10)	−0.0031 (11)
C152	0.0461 (15)	0.0438 (18)	0.0499 (16)	−0.0032 (13)	−0.0050 (13)	−0.0215 (14)
C153	0.072 (2)	0.052 (2)	0.0513 (18)	0.0026 (16)	0.0069 (16)	−0.0224 (16)
C154	0.0459 (18)	0.057 (2)	0.0526 (19)	0.0112 (15)	0.0146 (15)	0.0066 (17)
C155	0.0322 (15)	0.068 (2)	0.059 (2)	−0.0005 (14)	−0.0010 (14)	0.0064 (18)
C156	0.0393 (15)	0.056 (2)	0.0429 (15)	−0.0056 (13)	−0.0107 (12)	−0.0031 (14)
C161	0.042 (2)	0.032 (2)	0.0376 (19)	0.0085 (15)	0.0004 (15)	−0.0042 (16)
C162	0.0403 (19)	0.036 (2)	0.050 (2)	−0.0020 (15)	0.0064 (16)	−0.0153 (18)
C163	0.062 (3)	0.032 (2)	0.061 (3)	−0.0026 (19)	0.018 (2)	−0.003 (2)
C164	0.071 (3)	0.060 (3)	0.051 (3)	0.014 (2)	0.005 (2)	0.017 (2)
C165	0.064 (3)	0.112 (5)	0.055 (3)	0.003 (3)	−0.018 (3)	0.011 (3)
C166	0.049 (2)	0.084 (4)	0.047 (2)	−0.011 (2)	−0.0140 (19)	0.011 (2)
N11	0.0371 (19)	0.080 (2)	0.019 (6)	0.0008 (16)	−0.003 (2)	−0.015 (2)
C12	0.0418 (17)	0.052 (7)	0.0463 (17)	0.008 (4)	0.0078 (13)	−0.014 (4)
C13	0.0478 (17)	0.042 (7)	0.0403 (16)	0.006 (3)	0.0078 (13)	−0.010 (5)
C14	0.011 (7)	0.065 (3)	0.027 (2)	−0.006 (3)	0.006 (3)	−0.0153 (16)
C15	0.034 (3)	0.076 (6)	0.033 (2)	0.005 (3)	−0.002 (2)	−0.013 (3)
C16	0.043 (4)	0.078 (7)	0.032 (2)	0.001 (3)	0.000 (3)	−0.005 (3)
N11A	0.0371 (19)	0.080 (2)	0.019 (6)	0.0008 (16)	−0.003 (2)	−0.015 (2)
C12A	0.0418 (17)	0.052 (7)	0.0463 (17)	0.008 (4)	0.0078 (13)	−0.014 (4)
C13A	0.0478 (17)	0.042 (7)	0.0403 (16)	0.006 (3)	0.0078 (13)	−0.010 (5)
C14A	0.011 (7)	0.065 (3)	0.027 (2)	−0.006 (3)	0.006 (3)	−0.0153 (16)
C15A	0.034 (3)	0.076 (6)	0.033 (2)	0.005 (3)	−0.002 (2)	−0.013 (3)
C16A	0.043 (4)	0.078 (7)	0.032 (2)	0.001 (3)	0.000 (3)	−0.005 (3)
Si21	0.0221 (3)	0.0269 (4)	0.0254 (3)	−0.0037 (2)	−0.0010 (2)	−0.0090 (3)
O21	0.0267 (8)	0.0353 (11)	0.0297 (9)	−0.0029 (7)	0.0007 (7)	−0.0040 (8)
C211	0.0250 (11)	0.0335 (15)	0.0267 (11)	−0.0039 (9)	0.0009 (9)	−0.0146 (10)
C212	0.0302 (12)	0.0418 (17)	0.0414 (14)	−0.0076 (11)	−0.0042 (10)	−0.0150 (13)
C213	0.0300 (13)	0.065 (2)	0.0472 (16)	−0.0165 (13)	−0.0012 (11)	−0.0254 (15)
C214	0.0237 (12)	0.073 (2)	0.0410 (15)	−0.0003 (13)	−0.0065 (11)	−0.0263 (15)
C215	0.0364 (14)	0.0537 (19)	0.0358 (14)	0.0092 (12)	−0.0110 (11)	−0.0171 (13)
C216	0.0336 (12)	0.0376 (16)	0.0305 (12)	−0.0016 (10)	−0.0049 (10)	−0.0124 (11)
C221	0.0252 (11)	0.0245 (13)	0.0317 (12)	−0.0053 (9)	−0.0005 (9)	−0.0090 (10)
C222	0.0279 (12)	0.0455 (17)	0.0388 (13)	−0.0045 (11)	−0.0036 (10)	−0.0198 (13)
C223	0.0251 (12)	0.057 (2)	0.0546 (17)	0.0023 (11)	−0.0003 (11)	−0.0283 (15)
C224	0.0362 (13)	0.0500 (19)	0.0417 (15)	−0.0058 (12)	0.0100 (11)	−0.0245 (14)
C225	0.0405 (14)	0.0413 (17)	0.0324 (13)	−0.0087 (11)	0.0030 (11)	−0.0166 (12)
C226	0.0302 (11)	0.0310 (15)	0.0304 (12)	−0.0054 (10)	−0.0022 (9)	−0.0095 (11)
C231	0.0258 (11)	0.0305 (14)	0.0309 (12)	−0.0021 (9)	−0.0092 (9)	−0.0110 (10)
C232	0.0360 (13)	0.0505 (19)	0.0498 (16)	−0.0002 (12)	−0.0062 (12)	−0.0299 (15)
C233	0.0514 (17)	0.058 (2)	0.085 (2)	0.0106 (15)	−0.0230 (17)	−0.050 (2)
C234	0.0545 (17)	0.0308 (17)	0.092 (2)	0.0041 (13)	−0.0411 (18)	−0.0281 (17)
C235	0.0514 (16)	0.0339 (17)	0.0622 (19)	−0.0153 (13)	−0.0215 (14)	−0.0073 (15)
C236	0.0375 (13)	0.0363 (16)	0.0379 (14)	−0.0092 (11)	−0.0072 (11)	−0.0102 (12)
Si22	0.0316 (3)	0.0304 (4)	0.0312 (3)	0.0003 (3)	−0.0025 (3)	−0.0035 (3)
O22	0.0352 (10)	0.0336 (12)	0.0787 (15)	−0.0065 (8)	−0.0160 (10)	−0.0052 (10)
C241	0.0473 (15)	0.0362 (17)	0.0296 (17)	0.0050 (12)	−0.0118 (12)	−0.0104 (14)
C242	0.053 (4)	0.035 (2)	0.047 (2)	0.000 (3)	−0.019 (3)	−0.012 (2)
C243	0.081 (5)	0.041 (2)	0.070 (3)	−0.005 (3)	−0.037 (3)	−0.009 (2)
C244	0.122 (4)	0.048 (3)	0.076 (4)	0.024 (3)	−0.058 (4)	−0.033 (3)
C245	0.106 (5)	0.064 (4)	0.056 (3)	0.029 (3)	−0.028 (3)	−0.036 (3)
C246	0.070 (3)	0.057 (3)	0.042 (3)	0.018 (2)	−0.0104 (19)	−0.019 (2)
C271	0.0473 (15)	0.0362 (17)	0.0296 (17)	0.0050 (12)	−0.0118 (12)	−0.0104 (14)
C272	0.053 (4)	0.035 (2)	0.047 (2)	0.000 (3)	−0.019 (3)	−0.012 (2)
C273	0.081 (5)	0.041 (2)	0.070 (3)	−0.005 (3)	−0.037 (3)	−0.009 (2)
C274	0.122 (4)	0.048 (3)	0.076 (4)	0.024 (3)	−0.058 (4)	−0.033 (3)
C275	0.106 (5)	0.064 (4)	0.056 (3)	0.029 (3)	−0.028 (3)	−0.036 (3)
C276	0.070 (3)	0.057 (3)	0.042 (3)	0.018 (2)	−0.0104 (19)	−0.019 (2)
C251	0.0356 (12)	0.0297 (15)	0.0265 (12)	−0.0033 (10)	−0.0052 (10)	−0.0050 (10)
C252	0.0531 (16)	0.0429 (18)	0.0493 (16)	−0.0002 (13)	−0.0128 (13)	−0.0239 (14)
C253	0.089 (3)	0.061 (2)	0.0530 (19)	0.0124 (19)	−0.0109 (18)	−0.0350 (18)
C254	0.065 (2)	0.050 (2)	0.0411 (16)	0.0098 (15)	0.0143 (15)	−0.0075 (15)
C255	0.0355 (15)	0.077 (3)	0.063 (2)	−0.0039 (15)	0.0030 (14)	−0.0164 (19)
C256	0.0370 (14)	0.075 (2)	0.0477 (16)	−0.0086 (14)	−0.0050 (12)	−0.0281 (17)
C261	0.0355 (18)	0.0228 (19)	0.0313 (17)	0.0047 (14)	−0.0061 (14)	−0.0034 (14)
C262	0.120 (4)	0.073 (4)	0.027 (2)	0.049 (3)	−0.011 (2)	−0.010 (2)
C263	0.144 (5)	0.098 (5)	0.030 (2)	0.066 (4)	−0.009 (3)	−0.008 (3)
C264	0.090 (4)	0.094 (5)	0.032 (2)	0.033 (3)	−0.002 (2)	0.001 (3)
C265	0.100 (4)	0.101 (5)	0.046 (3)	0.064 (4)	0.002 (3)	0.012 (3)
C266	0.081 (3)	0.064 (3)	0.039 (2)	0.042 (3)	0.002 (2)	0.001 (2)
N21	0.037 (3)	0.056 (3)	0.0330 (13)	−0.002 (2)	0.0046 (13)	−0.0157 (17)
C22	0.040 (3)	0.047 (2)	0.039 (3)	0.002 (3)	0.004 (2)	−0.011 (2)
C23	0.041 (3)	0.047 (2)	0.033 (2)	0.008 (2)	0.0013 (18)	−0.004 (2)
C24	0.019 (4)	0.051 (3)	0.024 (2)	−0.001 (2)	−0.007 (2)	−0.0119 (18)
C25	0.0342 (16)	0.050 (5)	0.039 (2)	0.005 (3)	0.0011 (15)	−0.011 (3)
C26	0.044 (2)	0.054 (6)	0.036 (2)	0.001 (3)	0.0070 (18)	−0.007 (3)
N21A	0.037 (3)	0.056 (3)	0.0330 (13)	−0.002 (2)	0.0046 (13)	−0.0157 (17)
C22A	0.040 (3)	0.047 (2)	0.039 (3)	0.002 (3)	0.004 (2)	−0.011 (2)
C23A	0.041 (3)	0.047 (2)	0.033 (2)	0.008 (2)	0.0013 (18)	−0.004 (2)
C24A	0.019 (4)	0.051 (3)	0.024 (2)	−0.001 (2)	−0.007 (2)	−0.0119 (18)
C25A	0.0342 (16)	0.050 (5)	0.039 (2)	0.005 (3)	0.0011 (15)	−0.011 (3)
C26A	0.044 (2)	0.054 (6)	0.036 (2)	0.001 (3)	0.0070 (18)	−0.007 (3)

Geometric parameters (Å, º)

Si11—O11	1.6388 (18)	C211—C212	1.406 (3)
Si11—C131	1.865 (2)	C212—C213	1.389 (3)
Si11—C121	1.867 (2)	C212—H212	0.95
Si11—C111	1.871 (2)	C213—C214	1.381 (4)
O11—H11	0.84	C213—H213	0.95
C111—C112	1.396 (3)	C214—C215	1.385 (4)
C111—C116	1.400 (3)	C214—H214	0.95
C112—C113	1.385 (3)	C215—C216	1.390 (3)
C112—H112	0.95	C215—H215	0.95
C113—C114	1.390 (4)	C216—H216	0.95
C113—H113	0.95	C221—C226	1.400 (3)
C114—C115	1.380 (4)	C221—C222	1.401 (3)
C114—H114	0.95	C222—C223	1.386 (3)
C115—C116	1.397 (3)	C222—H222	0.95
C115—H115	0.95	C223—C224	1.385 (4)
C116—H116	0.95	C223—H223	0.95
C121—C126	1.394 (3)	C224—C225	1.377 (4)
C121—C122	1.396 (3)	C224—H224	0.95
C122—C123	1.387 (3)	C225—C226	1.391 (3)
C122—H122	0.95	C225—H225	0.95
C123—C124	1.382 (4)	C226—H226	0.95
C123—H123	0.95	C231—C236	1.395 (3)
C124—C125	1.381 (4)	C231—C232	1.396 (3)
C124—H124	0.95	C232—C233	1.380 (4)
C125—C126	1.395 (3)	C232—H232	0.95
C125—H125	0.95	C233—C234	1.386 (5)
C126—H126	0.95	C233—H233	0.95
C131—C132	1.394 (3)	C234—C235	1.370 (4)
C131—C136	1.402 (3)	C234—H234	0.95
C132—C133	1.397 (4)	C235—C236	1.386 (4)
C132—H132	0.95	C235—H235	0.95
C133—C134	1.379 (5)	C236—H236	0.95
C133—H133	0.95	Si22—O22	1.623 (2)
C134—C135	1.382 (4)	Si22—C241	1.865 (4)
C134—H134	0.95	Si22—C251	1.868 (2)
C135—C136	1.386 (4)	Si22—C281	1.880 (4)
C135—H135	0.95	Si22—C271	1.905 (4)
C136—H136	0.95	Si22—C261	1.9109 (19)
Si12—O12	1.632 (2)	O22—H22	0.84
Si12—C141	1.860 (3)	C241—C242	1.39
Si12—C151	1.873 (2)	C241—C246	1.39
Si12—C161	1.8932 (19)	C242—C243	1.39
Si12—C171	1.913 (4)	C242—H242	0.95
O12—H12	0.84	C243—C244	1.39
C141—C142	1.376 (4)	C243—H243	0.95
C141—C146	1.388 (4)	C244—C245	1.39
C142—C143	1.389 (5)	C244—H244	0.95
C142—H142	0.95	C245—C246	1.39
C143—C144	1.385 (5)	C245—H245	0.95
C143—H143	0.95	C246—H246	0.95
C144—C145	1.365 (6)	C271—C272	1.39
C144—H144	0.95	C271—C276	1.39
C145—C146	1.349 (5)	C272—C273	1.39
C145—H145	0.95	C272—H272	0.95
C146—H146	0.95	C273—C274	1.39
C151—C152	1.386 (4)	C273—H273	0.95
C151—C156	1.397 (4)	C274—C275	1.39
C152—C153	1.400 (4)	C274—H274	0.95
C152—H152	0.95	C275—C276	1.39
C153—C154	1.368 (5)	C275—H275	0.95
C153—H153	0.95	C276—H276	0.95
C154—C155	1.370 (5)	C251—C252	1.384 (4)
C154—H154	0.95	C251—C256	1.395 (3)
C155—C156	1.382 (4)	C252—C253	1.377 (4)
C155—H155	0.95	C252—H252	0.95
C156—H156	0.95	C253—C254	1.365 (5)
C161—C162	1.39	C253—H253	0.95
C161—C166	1.39	C254—C255	1.371 (5)
C162—C163	1.39	C254—H254	0.95
C162—H162	0.95	C255—C256	1.391 (4)
C163—C164	1.39	C255—H255	0.95
C163—H163	0.95	C256—H256	0.95
C164—C165	1.39	C261—C262	1.39
C164—H164	0.95	C261—C266	1.39
C165—C166	1.39	C262—C263	1.39
C165—H165	0.95	C262—H262	0.95
C166—H166	0.95	C263—C264	1.39
C171—C172	1.39	C263—H263	0.95
C171—C176	1.39	C264—C265	1.39
C172—C173	1.39	C264—H264	0.95
C172—H172	0.95	C265—C266	1.39
C173—C174	1.39	C265—H265	0.95
C173—H173	0.95	C266—H266	0.95
C174—C175	1.39	C281—C282	1.39
C174—H174	0.95	C281—C286	1.39
C175—C176	1.39	C282—C283	1.39
C175—H175	0.95	C282—H282	0.95
C176—H176	0.95	C283—C284	1.39
N11—C12	1.339 (3)	C283—H283	0.95
N11—C16	1.339 (3)	C284—C285	1.39
C12—C13	1.390 (3)	C284—H284	0.95
C12—H12C	0.95	C285—C286	1.39
C13—C14	1.391 (3)	C285—H285	0.95
C13—H13	0.95	C286—H286	0.95
C14—C15	1.390 (3)	N21—C26	1.338 (3)
C14—C14A	1.492 (5)	N21—C22	1.339 (3)
C15—C16	1.390 (3)	C22—C23	1.391 (3)
C15—H15	0.95	C22—H22C	0.95
C16—H16	0.95	C23—C24	1.388 (3)
N11A—C12A	1.339 (3)	C23—H23	0.95
N11A—C16A	1.339 (3)	C24—C25	1.389 (3)
C12A—C13A	1.391 (3)	C24—C24A	1.491 (5)
C12A—H12A	0.95	C25—C26	1.389 (3)
C13A—C14A	1.391 (3)	C25—H25	0.95
C13A—H14A	0.95	C26—H26C	0.95
C14A—C15A	1.390 (3)	N21A—C22A	1.338 (3)
C15A—C16A	1.390 (3)	N21A—C26A	1.339 (3)
C15A—H15A	0.95	C22A—C23A	1.390 (3)
C16A—H16A	0.95	C22A—H22A	0.95
Si21—O21	1.6400 (18)	C23A—C24A	1.387 (3)
Si21—C231	1.868 (2)	C23A—H23A	0.95
Si21—C221	1.870 (2)	C24A—C25A	1.390 (3)
Si21—C211	1.870 (2)	C25A—C26A	1.389 (3)
O21—H21	0.84	C25A—H25A	0.95
C211—C216	1.395 (3)	C26A—H26A	0.95
O11—Si11—C131	112.16 (11)	C213—C212—H212	119.3
O11—Si11—C121	106.76 (10)	C211—C212—H212	119.3
C131—Si11—C121	109.15 (11)	C214—C213—C212	120.0 (3)
O11—Si11—C111	108.27 (10)	C214—C213—H213	120.0
C131—Si11—C111	109.76 (11)	C212—C213—H213	120.0
C121—Si11—C111	110.72 (10)	C213—C214—C215	119.8 (2)
Si11—O11—H11	109.5	C213—C214—H214	120.1
C112—C111—C116	117.4 (2)	C215—C214—H214	120.1
C112—C111—Si11	119.52 (19)	C214—C215—C216	120.2 (3)
C116—C111—Si11	123.09 (18)	C214—C215—H215	119.9
C113—C112—C111	122.0 (3)	C216—C215—H215	119.9
C113—C112—H112	119.0	C215—C216—C211	121.3 (3)
C111—C112—H112	119.0	C215—C216—H216	119.4
C112—C113—C114	119.7 (3)	C211—C216—H216	119.4
C112—C113—H113	120.1	C226—C221—C222	117.6 (2)
C114—C113—H113	120.1	C226—C221—Si21	121.26 (17)
C115—C114—C113	119.6 (2)	C222—C221—Si21	121.19 (18)
C115—C114—H114	120.2	C223—C222—C221	120.9 (2)
C113—C114—H114	120.2	C223—C222—H222	119.6
C114—C115—C116	120.4 (3)	C221—C222—H222	119.6
C114—C115—H115	119.8	C224—C223—C222	120.1 (2)
C116—C115—H115	119.8	C224—C223—H223	119.9
C115—C116—C111	120.9 (2)	C222—C223—H223	119.9
C115—C116—H116	119.6	C225—C224—C223	120.4 (2)
C111—C116—H116	119.6	C225—C224—H224	119.8
C126—C121—C122	117.4 (2)	C223—C224—H224	119.8
C126—C121—Si11	121.47 (17)	C224—C225—C226	119.3 (2)
C122—C121—Si11	121.17 (17)	C224—C225—H225	120.3
C123—C122—C121	121.4 (2)	C226—C225—H225	120.3
C123—C122—H122	119.3	C225—C226—C221	121.7 (2)
C121—C122—H122	119.3	C225—C226—H226	119.2
C124—C123—C122	120.2 (2)	C221—C226—H226	119.2
C124—C123—H123	119.9	C236—C231—C232	116.9 (2)
C122—C123—H123	119.9	C236—C231—Si21	122.04 (19)
C125—C124—C123	119.8 (2)	C232—C231—Si21	120.93 (19)
C125—C124—H124	120.1	C233—C232—C231	121.6 (3)
C123—C124—H124	120.1	C233—C232—H232	119.2
C124—C125—C126	119.7 (2)	C231—C232—H232	119.2
C124—C125—H125	120.2	C232—C233—C234	120.1 (3)
C126—C125—H125	120.2	C232—C233—H233	120.0
C121—C126—C125	121.6 (2)	C234—C233—H233	120.0
C121—C126—H126	119.2	C235—C234—C233	119.5 (3)
C125—C126—H126	119.2	C235—C234—H234	120.2
C132—C131—C136	117.2 (2)	C233—C234—H234	120.2
C132—C131—Si11	121.9 (2)	C234—C235—C236	120.3 (3)
C136—C131—Si11	120.82 (19)	C234—C235—H235	119.9
C131—C132—C133	121.3 (3)	C236—C235—H235	119.9
C131—C132—H132	119.4	C235—C236—C231	121.6 (3)
C133—C132—H132	119.4	C235—C236—H236	119.2
C134—C133—C132	120.1 (3)	C231—C236—H236	119.2
C134—C133—H133	119.9	O22—Si22—C241	111.94 (18)
C132—C133—H133	119.9	O22—Si22—C251	110.59 (12)
C133—C134—C135	119.7 (3)	C241—Si22—C251	111.07 (19)
C133—C134—H134	120.2	O22—Si22—C281	92.6 (2)
C135—C134—H134	120.2	C241—Si22—C281	120.8 (3)
C134—C135—C136	120.1 (3)	C251—Si22—C281	108.4 (3)
C134—C135—H135	120.0	O22—Si22—C271	107.58 (18)
C136—C135—H135	120.0	C251—Si22—C271	110.00 (18)
C135—C136—C131	121.6 (3)	C281—Si22—C271	125.9 (3)
C135—C136—H136	119.2	O22—Si22—C261	110.96 (13)
C131—C136—H136	119.2	C241—Si22—C261	103.95 (19)
O12—Si12—C141	111.48 (11)	C251—Si22—C261	108.08 (11)
O12—Si12—C151	109.08 (12)	C271—Si22—C261	109.62 (19)
C141—Si12—C151	110.30 (13)	Si22—O22—H22	109.5
O12—Si12—C161	101.30 (12)	C242—C241—C246	120.0
C141—Si12—C161	113.02 (12)	C242—C241—Si22	119.3 (3)
C151—Si12—C161	111.33 (11)	C246—C241—Si22	120.6 (3)
O12—Si12—C171	121.9 (3)	C243—C242—C241	120.0
C141—Si12—C171	100.3 (3)	C243—C242—H242	120.0
C151—Si12—C171	103.1 (3)	C241—C242—H242	120.0
Si12—O12—H12	109.5	C242—C243—C244	120.0
C142—C141—C146	116.3 (3)	C242—C243—H243	120.0
C142—C141—Si12	123.1 (2)	C244—C243—H243	120.0
C146—C141—Si12	120.4 (2)	C243—C244—C245	120.0
C141—C142—C143	121.6 (3)	C243—C244—H244	120.0
C141—C142—H142	119.2	C245—C244—H244	120.0
C143—C142—H142	119.2	C246—C245—C244	120.0
C144—C143—C142	119.3 (4)	C246—C245—H245	120.0
C144—C143—H143	120.4	C244—C245—H245	120.0
C142—C143—H143	120.4	C245—C246—C241	120.0
C145—C144—C143	119.8 (4)	C245—C246—H246	120.0
C145—C144—H144	120.1	C241—C246—H246	120.0
C143—C144—H144	120.1	C272—C271—C276	120.0
C146—C145—C144	119.6 (4)	C272—C271—Si22	121.7 (3)
C146—C145—H145	120.2	C276—C271—Si22	118.3 (3)
C144—C145—H145	120.2	C271—C272—C273	120.0
C145—C146—C141	123.3 (4)	C271—C272—H272	120.0
C145—C146—H146	118.3	C273—C272—H272	120.0
C141—C146—H146	118.3	C274—C273—C272	120.0
C152—C151—C156	117.3 (2)	C274—C273—H273	120.0
C152—C151—Si12	120.65 (19)	C272—C273—H273	120.0
C156—C151—Si12	122.0 (2)	C275—C274—C273	120.0
C151—C152—C153	121.3 (3)	C275—C274—H274	120.0
C151—C152—H152	119.4	C273—C274—H274	120.0
C153—C152—H152	119.4	C274—C275—C276	120.0
C154—C153—C152	119.7 (3)	C274—C275—H275	120.0
C154—C153—H153	120.2	C276—C275—H275	120.0
C152—C153—H153	120.2	C275—C276—C271	120.0
C153—C154—C155	120.2 (3)	C275—C276—H276	120.0
C153—C154—H154	119.9	C271—C276—H276	120.0
C155—C154—H154	119.9	C252—C251—C256	117.2 (2)
C154—C155—C156	120.2 (3)	C252—C251—Si22	120.8 (2)
C154—C155—H155	119.9	C256—C251—Si22	121.9 (2)
C156—C155—H155	119.9	C253—C252—C251	121.4 (3)
C155—C156—C151	121.3 (3)	C253—C252—H252	119.3
C155—C156—H156	119.4	C251—C252—H252	119.3
C151—C156—H156	119.4	C254—C253—C252	120.8 (3)
C162—C161—C166	120.0	C254—C253—H253	119.6
C162—C161—Si12	121.90 (15)	C252—C253—H253	119.6
C166—C161—Si12	118.10 (15)	C253—C254—C255	119.4 (3)
C161—C162—C163	120.0	C253—C254—H254	120.3
C161—C162—H162	120.0	C255—C254—H254	120.3
C163—C162—H162	120.0	C254—C255—C256	120.2 (3)
C164—C163—C162	120.0	C254—C255—H255	119.9
C164—C163—H163	120.0	C256—C255—H255	119.9
C162—C163—H163	120.0	C255—C256—C251	120.9 (3)
C163—C164—C165	120.0	C255—C256—H256	119.6
C163—C164—H164	120.0	C251—C256—H256	119.6
C165—C164—H164	120.0	C262—C261—C266	120.0
C166—C165—C164	120.0	C262—C261—Si22	120.00 (13)
C166—C165—H165	120.0	C266—C261—Si22	120.00 (13)
C164—C165—H165	120.0	C261—C262—C263	120.0
C165—C166—C161	120.0	C261—C262—H262	120.0
C165—C166—H166	120.0	C263—C262—H262	120.0
C161—C166—H166	120.0	C264—C263—C262	120.0
C172—C171—C176	120.0	C264—C263—H263	120.0
C172—C171—Si12	124.9 (4)	C262—C263—H263	120.0
C176—C171—Si12	114.9 (4)	C263—C264—C265	120.0
C171—C172—C173	120.0	C263—C264—H264	120.0
C171—C172—H172	120.0	C265—C264—H264	120.0
C173—C172—H172	120.0	C266—C265—C264	120.0
C172—C173—C174	120.0	C266—C265—H265	120.0
C172—C173—H173	120.0	C264—C265—H265	120.0
C174—C173—H173	120.0	C265—C266—C261	120.0
C173—C174—C175	120.0	C265—C266—H266	120.0
C173—C174—H174	120.0	C261—C266—H266	120.0
C175—C174—H174	120.0	C282—C281—C286	120.0
C176—C175—C174	120.0	C282—C281—Si22	123.0 (4)
C176—C175—H175	120.0	C286—C281—Si22	116.9 (4)
C174—C175—H175	120.0	C281—C282—C283	120.0
C175—C176—C171	120.0	C281—C282—H282	120.0
C175—C176—H176	120.0	C283—C282—H282	120.0
C171—C176—H176	120.0	C282—C283—C284	120.0
C12—N11—C16	108.9 (19)	C282—C283—H283	120.0
N11—C12—C13	127 (2)	C284—C283—H283	120.0
N11—C12—H12C	116.6	C285—C284—C283	120.0
C13—C12—H12C	116.6	C285—C284—H284	120.0
C12—C13—C14	124 (2)	C283—C284—H284	120.0
C12—C13—H13	117.9	C284—C285—C286	120.0
C14—C13—H13	117.9	C284—C285—H285	120.0
C15—C14—C13	109.0 (17)	C286—C285—H285	120.0
C15—C14—C14A	124.7 (9)	C285—C286—C281	120.0
C13—C14—C14A	126.2 (12)	C285—C286—H286	120.0
C14—C15—C16	123.3 (11)	C281—C286—H286	120.0
C14—C15—H15	118.4	C26—N21—C22	117.3 (9)
C16—C15—H15	118.4	N21—C22—C23	122.9 (8)
N11—C16—C15	127.7 (14)	N21—C22—H22C	118.5
N11—C16—H16	116.1	C23—C22—H22C	118.5
C15—C16—H16	116.1	C24—C23—C22	119.7 (7)
C12A—N11A—C16A	125.4 (19)	C24—C23—H23	120.1
N11A—C12A—C13A	120 (2)	C22—C23—H23	120.1
N11A—C12A—H12A	119.9	C23—C24—C25	117.3 (8)
C13A—C12A—H12A	119.9	C23—C24—C24A	120.8 (5)
C12A—C13A—C14A	114.1 (19)	C25—C24—C24A	121.6 (5)
C12A—C13A—H14A	122.9	C26—C25—C24	119.4 (8)
C14A—C13A—H14A	122.9	C26—C25—H25	120.3
C15A—C14A—C13A	125.7 (16)	C24—C25—H25	120.3
C15A—C14A—C14	118.5 (9)	N21—C26—C25	123.4 (9)
C13A—C14A—C14	115.7 (11)	N21—C26—H26C	118.3
C16A—C15A—C14A	116.2 (11)	C25—C26—H26C	118.3
C16A—C15A—H15A	121.9	C22A—N21A—C26A	117.9 (9)
C14A—C15A—H15A	121.9	N21A—C22A—C23A	123.6 (7)
N11A—C16A—C15A	118.1 (13)	N21A—C22A—H22A	118.2
N11A—C16A—H16A	120.9	C23A—C22A—H22A	118.2
C15A—C16A—H16A	120.9	C24A—C23A—C22A	118.7 (6)
O21—Si21—C231	112.36 (10)	C24A—C23A—H23A	120.7
O21—Si21—C221	106.95 (10)	C22A—C23A—H23A	120.7
C231—Si21—C221	109.53 (11)	C23A—C24A—C25A	117.6 (8)
O21—Si21—C211	108.88 (10)	C23A—C24A—C24	120.6 (5)
C231—Si21—C211	108.93 (11)	C25A—C24A—C24	121.6 (5)
C221—Si21—C211	110.18 (10)	C26A—C25A—C24A	120.3 (8)
Si21—O21—H21	109.5	C26A—C25A—H25A	119.9
C216—C211—C212	117.3 (2)	C24A—C25A—H25A	119.9
C216—C211—Si21	123.39 (18)	N21A—C26A—C25A	121.9 (9)
C212—C211—Si21	119.32 (19)	N21A—C26A—H26A	119.1
C213—C212—C211	121.5 (3)	C25A—C26A—H26A	119.1
O11—Si11—C111—C112	36.6 (2)	Si21—C211—C216—C215	−178.63 (18)
C131—Si11—C111—C112	159.36 (18)	O21—Si21—C221—C226	−121.9 (2)
C121—Si11—C111—C112	−80.1 (2)	C231—Si21—C221—C226	116.1 (2)
O11—Si11—C111—C116	−142.81 (19)	C211—Si21—C221—C226	−3.7 (2)
C131—Si11—C111—C116	−20.1 (2)	O21—Si21—C221—C222	58.3 (2)
C121—Si11—C111—C116	100.5 (2)	C231—Si21—C221—C222	−63.7 (2)
C116—C111—C112—C113	0.8 (4)	C211—Si21—C221—C222	176.5 (2)
Si11—C111—C112—C113	−178.66 (19)	C226—C221—C222—C223	0.1 (4)
C111—C112—C113—C114	−0.6 (4)	Si21—C221—C222—C223	179.9 (2)
C112—C113—C114—C115	−0.7 (4)	C221—C222—C223—C224	−0.5 (4)
C113—C114—C115—C116	1.6 (4)	C222—C223—C224—C225	0.4 (5)
C114—C115—C116—C111	−1.3 (4)	C223—C224—C225—C226	0.2 (4)
C112—C111—C116—C115	0.1 (3)	C224—C225—C226—C221	−0.6 (4)
Si11—C111—C116—C115	179.59 (17)	C222—C221—C226—C225	0.5 (4)
O11—Si11—C121—C126	−121.6 (2)	Si21—C221—C226—C225	−179.32 (19)
C131—Si11—C121—C126	117.0 (2)	O21—Si21—C231—C236	−132.90 (19)
C111—Si11—C121—C126	−3.9 (2)	C221—Si21—C231—C236	−14.2 (2)
O11—Si11—C121—C122	58.5 (2)	C211—Si21—C231—C236	106.4 (2)
C131—Si11—C121—C122	−62.9 (2)	O21—Si21—C231—C232	51.1 (2)
C111—Si11—C121—C122	176.2 (2)	C221—Si21—C231—C232	169.81 (19)
C126—C121—C122—C123	0.6 (4)	C211—Si21—C231—C232	−69.6 (2)
Si11—C121—C122—C123	−179.5 (2)	C236—C231—C232—C233	−0.4 (4)
C121—C122—C123—C124	−0.7 (4)	Si21—C231—C232—C233	175.8 (2)
C122—C123—C124—C125	0.5 (4)	C231—C232—C233—C234	−0.6 (4)
C123—C124—C125—C126	−0.4 (4)	C232—C233—C234—C235	1.5 (4)
C122—C121—C126—C125	−0.5 (4)	C233—C234—C235—C236	−1.2 (4)
Si11—C121—C126—C125	179.6 (2)	C234—C235—C236—C231	0.2 (4)
C124—C125—C126—C121	0.4 (4)	C232—C231—C236—C235	0.6 (4)
O11—Si11—C131—C132	47.8 (2)	Si21—C231—C236—C235	−175.5 (2)
C121—Si11—C131—C132	165.88 (19)	O22—Si22—C241—C242	89.9 (3)
C111—Si11—C131—C132	−72.6 (2)	C251—Si22—C241—C242	−34.2 (3)
O11—Si11—C131—C136	−135.25 (19)	C281—Si22—C241—C242	−162.8 (3)
C121—Si11—C131—C136	−17.2 (2)	C271—Si22—C241—C242	46 (3)
C111—Si11—C131—C136	104.4 (2)	C261—Si22—C241—C242	−150.3 (3)
C136—C131—C132—C133	−1.0 (4)	O22—Si22—C241—C246	−87.9 (3)
Si11—C131—C132—C133	176.1 (2)	C251—Si22—C241—C246	147.9 (2)
C131—C132—C133—C134	0.1 (4)	C281—Si22—C241—C246	19.3 (4)
C132—C133—C134—C135	1.3 (4)	C271—Si22—C241—C246	−131 (3)
C133—C134—C135—C136	−1.6 (4)	C261—Si22—C241—C246	31.9 (3)
C134—C135—C136—C131	0.7 (4)	C246—C241—C242—C243	0.0
C132—C131—C136—C135	0.6 (4)	Si22—C241—C242—C243	−177.9 (4)
Si11—C131—C136—C135	−176.5 (2)	C241—C242—C243—C244	0.0
O12—Si12—C141—C142	98.1 (3)	C242—C243—C244—C245	0.0
C151—Si12—C141—C142	−23.2 (3)	C243—C244—C245—C246	0.0
C161—Si12—C141—C142	−148.6 (2)	C244—C245—C246—C241	0.0
C171—Si12—C141—C142	−131.4 (4)	C242—C241—C246—C245	0.0
O12—Si12—C141—C146	−77.2 (3)	Si22—C241—C246—C245	177.8 (4)
C151—Si12—C141—C146	161.5 (2)	O22—Si22—C271—C272	124.7 (3)
C161—Si12—C141—C146	36.1 (3)	C241—Si22—C271—C272	−97 (3)
C171—Si12—C141—C146	53.3 (3)	C251—Si22—C271—C272	4.2 (3)
C146—C141—C142—C143	−0.6 (5)	C281—Si22—C271—C272	−128.6 (4)
Si12—C141—C142—C143	−176.0 (3)	C261—Si22—C271—C272	−114.5 (3)
C141—C142—C143—C144	−1.3 (6)	O22—Si22—C271—C276	−55.0 (3)
C142—C143—C144—C145	1.2 (6)	C241—Si22—C271—C276	83 (3)
C143—C144—C145—C146	0.8 (6)	C251—Si22—C271—C276	−175.6 (2)
C144—C145—C146—C141	−2.8 (6)	C281—Si22—C271—C276	51.7 (4)
C142—C141—C146—C145	2.7 (5)	C261—Si22—C271—C276	65.7 (3)
Si12—C141—C146—C145	178.3 (3)	C276—C271—C272—C273	0.0
O12—Si12—C151—C152	4.5 (3)	Si22—C271—C272—C273	−179.7 (4)
C141—Si12—C151—C152	127.3 (2)	C271—C272—C273—C274	0.0
C161—Si12—C151—C152	−106.4 (2)	C272—C273—C274—C275	0.0
C171—Si12—C151—C152	−126.4 (3)	C273—C274—C275—C276	0.0
O12—Si12—C151—C156	−177.3 (2)	C274—C275—C276—C271	0.0
C141—Si12—C151—C156	−54.6 (3)	C272—C271—C276—C275	0.0
C161—Si12—C151—C156	71.7 (3)	Si22—C271—C276—C275	179.8 (4)
C171—Si12—C151—C156	51.7 (3)	O22—Si22—C251—C252	1.4 (3)
C156—C151—C152—C153	−1.3 (4)	C241—Si22—C251—C252	126.4 (3)
Si12—C151—C152—C153	176.9 (2)	C281—Si22—C251—C252	−98.7 (3)
C151—C152—C153—C154	0.5 (5)	C271—Si22—C251—C252	120.1 (3)
C152—C153—C154—C155	0.4 (5)	C261—Si22—C251—C252	−120.2 (2)
C153—C154—C155—C156	−0.4 (5)	O22—Si22—C251—C256	179.0 (2)
C154—C155—C156—C151	−0.5 (5)	C241—Si22—C251—C256	−56.1 (3)
C152—C151—C156—C155	1.3 (4)	C281—Si22—C251—C256	78.9 (3)
Si12—C151—C156—C155	−176.9 (2)	C271—Si22—C251—C256	−62.3 (3)
O12—Si12—C161—C162	−4.83 (18)	C261—Si22—C251—C256	57.3 (3)
C141—Si12—C161—C162	−124.21 (17)	C256—C251—C252—C253	−1.1 (4)
C151—Si12—C161—C162	111.01 (17)	Si22—C251—C252—C253	176.5 (2)
C171—Si12—C161—C162	−179.1 (8)	C251—C252—C253—C254	0.5 (5)
O12—Si12—C161—C166	174.72 (14)	C252—C253—C254—C255	0.3 (5)
C141—Si12—C161—C166	55.34 (17)	C253—C254—C255—C256	−0.4 (5)
C151—Si12—C161—C166	−69.45 (17)	C254—C255—C256—C251	−0.2 (5)
C171—Si12—C161—C166	0.4 (8)	C252—C251—C256—C255	1.0 (4)
C166—C161—C162—C163	0.0	Si22—C251—C256—C255	−176.6 (2)
Si12—C161—C162—C163	179.54 (19)	O22—Si22—C261—C262	67.7 (2)
C161—C162—C163—C164	0.0	C241—Si22—C261—C262	−52.8 (3)
C162—C163—C164—C165	0.0	C251—Si22—C261—C262	−170.9 (2)
C163—C164—C165—C166	0.0	C281—Si22—C261—C262	94.8 (8)
C164—C165—C166—C161	0.0	C271—Si22—C261—C262	−51.0 (3)
C162—C161—C166—C165	0.0	O22—Si22—C261—C266	−111.9 (2)
Si12—C161—C166—C165	−179.56 (18)	C241—Si22—C261—C266	127.6 (3)
O12—Si12—C171—C172	110.5 (5)	C251—Si22—C261—C266	9.5 (2)
C141—Si12—C171—C172	−13.0 (5)	C281—Si22—C261—C266	−84.8 (8)
C151—Si12—C171—C172	−126.8 (4)	C271—Si22—C261—C266	129.4 (3)
C161—Si12—C171—C172	117.1 (10)	C266—C261—C262—C263	0.0
O12—Si12—C171—C176	−63.9 (4)	Si22—C261—C262—C263	−179.6 (2)
C141—Si12—C171—C176	172.6 (3)	C261—C262—C263—C264	0.0
C151—Si12—C171—C176	58.8 (4)	C262—C263—C264—C265	0.0
C161—Si12—C171—C176	−57.3 (7)	C263—C264—C265—C266	0.0
C176—C171—C172—C173	0.0	C264—C265—C266—C261	0.0
Si12—C171—C172—C173	−174.1 (6)	C262—C261—C266—C265	0.0
C171—C172—C173—C174	0.0	Si22—C261—C266—C265	179.6 (2)
C172—C173—C174—C175	0.0	O22—Si22—C281—C282	2.8 (4)
C173—C174—C175—C176	0.0	C241—Si22—C281—C282	−114.7 (4)
C174—C175—C176—C171	0.0	C251—Si22—C281—C282	115.5 (4)
C172—C171—C176—C175	0.0	C271—Si22—C281—C282	−111.2 (4)
Si12—C171—C176—C175	174.7 (6)	C261—Si22—C281—C282	−152.0 (10)
C16—N11—C12—C13	2.1 (12)	O22—Si22—C281—C286	178.6 (4)
N11—C12—C13—C14	0.7 (11)	C241—Si22—C281—C286	61.1 (5)
C12—C13—C14—C15	−4.0 (15)	C251—Si22—C281—C286	−68.7 (4)
C12—C13—C14—C14A	180.0 (6)	C271—Si22—C281—C286	64.7 (5)
C13—C14—C15—C16	4.6 (17)	C261—Si22—C281—C286	23.8 (5)
C14A—C14—C15—C16	−179.3 (7)	C286—C281—C282—C283	0.0
C12—N11—C16—C15	−1.4 (15)	Si22—C281—C282—C283	175.7 (6)
C14—C15—C16—N11	−2.2 (18)	C281—C282—C283—C284	0.0
C16A—N11A—C12A—C13A	−3.0 (13)	C282—C283—C284—C285	0.0
N11A—C12A—C13A—C14A	0.6 (10)	C283—C284—C285—C286	0.0
C12A—C13A—C14A—C15A	1.0 (16)	C284—C285—C286—C281	0.0
C12A—C13A—C14A—C14	−179.9 (5)	C282—C281—C286—C285	0.0
C15—C14—C14A—C15A	−153.6 (17)	Si22—C281—C286—C285	−176.0 (5)
C13—C14—C14A—C15A	21.9 (11)	C26—N21—C22—C23	1.3 (11)
C15—C14—C14A—C13A	27.2 (11)	N21—C22—C23—C24	−2.7 (9)
C13—C14—C14A—C13A	−157 (2)	C22—C23—C24—C25	3.4 (11)
C13A—C14A—C15A—C16A	−0.3 (17)	C22—C23—C24—C24A	177.5 (4)
C14—C14A—C15A—C16A	−179.4 (5)	C23—C24—C25—C26	−2.8 (12)
C12A—N11A—C16A—C15A	3.7 (15)	C24A—C24—C25—C26	−176.9 (6)
C14A—C15A—C16A—N11A	−1.9 (13)	C22—N21—C26—C25	−0.7 (13)
O21—Si21—C211—C216	−141.87 (19)	C24—C25—C26—N21	1.6 (12)
C231—Si21—C211—C216	−19.0 (2)	C26A—N21A—C22A—C23A	−1.0 (12)
C221—Si21—C211—C216	101.1 (2)	N21A—C22A—C23A—C24A	−1.4 (9)
O21—Si21—C211—C212	39.3 (2)	C22A—C23A—C24A—C25A	3.7 (12)
C231—Si21—C211—C212	162.10 (18)	C22A—C23A—C24A—C24	179.0 (4)
C221—Si21—C211—C212	−77.7 (2)	C23—C24—C24A—C23A	152.0 (11)
C216—C211—C212—C213	0.3 (3)	C25—C24—C24A—C23A	−34.2 (7)
Si21—C211—C212—C213	179.24 (19)	C23—C24—C24A—C25A	−33.0 (8)
C211—C212—C213—C214	−0.1 (4)	C25—C24—C24A—C25A	140.9 (12)
C212—C213—C214—C215	−0.7 (4)	C23A—C24A—C25A—C26A	−3.8 (14)
C213—C214—C215—C216	1.3 (4)	C24—C24A—C25A—C26A	−179.0 (6)
C214—C215—C216—C211	−1.1 (4)	C22A—N21A—C26A—C25A	0.9 (14)
C212—C211—C216—C215	0.3 (3)	C24A—C25A—C26A—N21A	1.5 (13)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O11—H11···N11	0.84	1.87	2.67 (2)	159
O11—H11···N11A^i	0.84	1.96	2.75 (2)	158
O12—H12···O11	0.84	1.89	2.710 (3)	165
O21—H21···N21	0.84	1.95	2.769 (10)	166
O21—H21···N21A^ii	0.84	1.83	2.629 (10)	158
O22—H22···O21	0.84	1.97	2.751 (3)	154

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+2, −z+1.

(IV) Triphenylsilanol–4,4'-bipyridyl (4/1), polymorph with Z' = 4

Crystal data

4(C18H16OSi)·C10H8N2	Z = 8
Mr = 1261.78	F(000) = 5328
Triclinic, P1	Dx = 1.226 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 20.787 (4) Å	Cell parameters from 96921 reflections
b = 24.404 (5) Å	θ = 2.6–27.5°
c = 29.456 (6) Å	µ = 0.14 mm^−1
α = 83.68 (3)°	T = 150 K
β = 89.65 (3)°	Block, colourless
γ = 67.11 (3)°	0.32 × 0.28 × 0.20 mm
V = 13671 (6) Å^3

Data collection

Kappa-CCD diffractometer	18805 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.099
Graphite monochromator	θmax = 27.5°, θmin = 2.6°
ϕ scans, and ω scans with κ offsets	h = −26→26
142148 measured reflections	k = −31→31
62054 independent reflections	l = −34→38

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)] = 0.142	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.511	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.1823P)^2 + 47.0084P] where P = (Fo^2 + 2Fc^2)/3
62054 reflections	(Δ/σ)max = 0.005
1205 parameters	Δρmax = 0.94 e Å^−3
237 restraints	Δρmin = −1.19 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Si11	0.31563 (9)	0.02824 (9)	−0.09257 (7)	0.0356 (5)
O11	0.2903 (3)	−0.0256 (2)	−0.0730 (2)	0.0443 (14)
C121	0.41464 (10)	−0.0041 (2)	−0.09051 (16)	0.0309 (17)*
C122	0.45094 (18)	−0.0520 (2)	−0.11462 (16)	0.0391 (19)*
C123	0.52358 (18)	−0.07676 (18)	−0.11231 (16)	0.044 (2)*
C124	0.55992 (10)	−0.0536 (2)	−0.08589 (17)	0.0377 (18)*
C125	0.52362 (17)	−0.0057 (2)	−0.06178 (15)	0.0355 (18)*
C126	0.45098 (17)	0.01911 (17)	−0.06409 (15)	0.0359 (18)*
C111	0.2811 (3)	0.09003 (17)	−0.05419 (14)	0.0388 (19)*
C112	0.2789 (3)	0.07411 (14)	−0.00760 (16)	0.044 (2)*
C113	0.2540 (3)	0.1182 (2)	0.02160 (11)	0.050 (2)*
C114	0.2314 (3)	0.17828 (18)	0.00421 (15)	0.053 (2)*
C115	0.2336 (3)	0.19420 (13)	−0.04238 (16)	0.050 (2)*
C116	0.2584 (3)	0.1501 (2)	−0.07158 (11)	0.043 (2)*
C131	0.2784 (7)	0.0576 (7)	−0.1530 (2)	0.039 (2)*	0.50
C132	0.2096 (6)	0.0669 (7)	−0.1638 (2)	0.052 (3)*	0.50
C133	0.1798 (5)	0.0948 (6)	−0.2067 (3)	0.055 (3)*	0.50
C134	0.2187 (5)	0.1133 (5)	−0.2387 (2)	0.037 (3)*	0.50
C135	0.2875 (5)	0.1040 (6)	−0.2279 (3)	0.045 (3)*	0.50
C136	0.3173 (5)	0.0761 (7)	−0.1851 (3)	0.042 (2)*	0.50
C171	0.2883 (7)	0.0592 (7)	−0.15446 (18)	0.039 (2)*	0.50
C172	0.2184 (6)	0.0783 (7)	−0.1684 (3)	0.052 (3)*	0.50
C173	0.1965 (4)	0.1057 (6)	−0.2127 (3)	0.055 (3)*	0.50
C174	0.2444 (5)	0.1139 (5)	−0.24297 (19)	0.037 (3)*	0.50
C175	0.3142 (5)	0.0948 (6)	−0.2290 (3)	0.045 (3)*	0.50
C176	0.3362 (5)	0.0674 (7)	−0.1847 (3)	0.042 (2)*	0.50
Si12	0.33222 (9)	−0.17820 (8)	−0.11076 (6)	0.0266 (5)
O12	0.3271 (3)	−0.1452 (2)	−0.06435 (16)	0.0479 (15)
C141	0.2798 (2)	−0.12207 (18)	−0.16003 (12)	0.0309 (16)*
C142	0.2077 (2)	−0.0945 (2)	−0.15718 (14)	0.053 (2)*
C143	0.16802 (18)	−0.0528 (2)	−0.19268 (19)	0.078 (3)*
C144	0.2004 (3)	−0.0387 (2)	−0.23102 (16)	0.076 (3)*
C145	0.2725 (3)	−0.0663 (2)	−0.23387 (13)	0.064 (3)*
C146	0.31220 (18)	−0.1080 (2)	−0.19837 (16)	0.045 (2)*
C151	0.2996 (5)	−0.2408 (3)	−0.1009 (3)	0.0241 (18)*	0.50
C152	0.3359 (4)	−0.2922 (4)	−0.0713 (3)	0.048 (3)*	0.50
C153	0.3111 (5)	−0.3377 (3)	−0.0645 (3)	0.047 (3)*	0.50
C154	0.2500 (5)	−0.3318 (3)	−0.0873 (4)	0.041 (3)*	0.50
C155	0.2137 (4)	−0.2805 (4)	−0.1169 (3)	0.049 (3)*	0.50
C156	0.2384 (5)	−0.2350 (3)	−0.1237 (3)	0.042 (3)*	0.50
C161	0.42684 (13)	−0.2158 (2)	−0.12602 (17)	0.0359 (18)*
C162	0.4798 (2)	−0.2142 (2)	−0.09823 (16)	0.059 (2)*
C163	0.54930 (18)	−0.2442 (3)	−0.1083 (2)	0.084 (3)*
C164	0.56588 (14)	−0.2756 (3)	−0.1462 (2)	0.084 (3)*
C165	0.5129 (3)	−0.2771 (2)	−0.17404 (18)	0.074 (3)*
C166	0.4434 (2)	−0.2472 (2)	−0.16393 (16)	0.046 (2)*
C181	0.2931 (5)	−0.2352 (3)	−0.0929 (3)	0.0241 (18)*	0.50
C182	0.2799 (5)	−0.2452 (4)	−0.0471 (3)	0.048 (3)*	0.50
C183	0.2504 (5)	−0.2863 (4)	−0.0331 (2)	0.047 (3)*	0.50
C184	0.2342 (5)	−0.3174 (4)	−0.0650 (3)	0.041 (3)*	0.50
C185	0.2474 (5)	−0.3074 (4)	−0.1108 (3)	0.049 (3)*	0.50
C186	0.2768 (5)	−0.2663 (4)	−0.1248 (2)	0.042 (3)*	0.50
N11	0.1702 (6)	−0.0108 (5)	−0.0283 (3)	0.066 (3)*	0.50
C12	0.1534 (9)	−0.0586 (8)	−0.0228 (5)	0.046 (3)*	0.50
C13	0.0908 (7)	−0.0610 (7)	−0.0074 (5)	0.049 (3)*	0.50
C14	0.0389 (7)	−0.0084 (5)	0.0039 (3)	0.054 (3)*	0.50
C15	0.0536 (7)	0.0427 (6)	−0.0011 (4)	0.056 (3)*	0.50
C16	0.1183 (7)	0.0391 (7)	−0.0170 (4)	0.059 (3)*	0.50
N11A	−0.1566 (8)	−0.0028 (5)	0.0511 (4)	0.066 (3)*	0.50
C12A	−0.1522 (10)	0.0458 (7)	0.0281 (5)	0.046 (3)*	0.50
C13A	−0.0891 (7)	0.0459 (7)	0.0119 (5)	0.049 (3)*	0.50
C14A	−0.0297 (7)	−0.0070 (5)	0.0207 (3)	0.054 (3)*	0.50
C15A	−0.0364 (8)	−0.0561 (7)	0.0447 (4)	0.056 (3)*	0.50
C16A	−0.1009 (7)	−0.0534 (7)	0.0597 (5)	0.059 (3)*	0.50
Si21	0.31573 (9)	0.02326 (8)	0.40683 (6)	0.0304 (5)
O21	0.2914 (2)	−0.0314 (2)	0.42548 (18)	0.0383 (13)
C211	0.2813 (2)	0.08371 (16)	0.44635 (13)	0.0321 (17)*
C212	0.2817 (2)	0.06664 (13)	0.49298 (14)	0.0375 (18)*
C213	0.2580 (3)	0.1099 (2)	0.52294 (10)	0.045 (2)*
C214	0.2341 (3)	0.17028 (17)	0.50626 (14)	0.046 (2)*
C215	0.2337 (3)	0.18736 (12)	0.45963 (15)	0.048 (2)*
C216	0.2573 (2)	0.14407 (18)	0.42967 (10)	0.0380 (18)*
C221	0.41474 (9)	−0.00880 (19)	0.40966 (15)	0.0277 (16)*
C222	0.45212 (17)	−0.05602 (19)	0.38517 (15)	0.0338 (17)*
C223	0.52475 (17)	−0.07901 (18)	0.38699 (16)	0.0379 (18)*
C224	0.55999 (9)	−0.0548 (2)	0.41331 (17)	0.0404 (19)*
C225	0.52261 (17)	−0.0076 (2)	0.43780 (15)	0.0365 (18)*
C226	0.44999 (16)	0.01543 (17)	0.43598 (15)	0.0294 (16)*
C231	0.2868 (6)	0.0581 (6)	0.34581 (16)	0.034 (2)*	0.64 (3)
C232	0.2163 (5)	0.0807 (6)	0.3327 (3)	0.043 (3)*	0.64 (3)
C233	0.1943 (6)	0.1084 (5)	0.2886 (3)	0.041 (3)*	0.64 (3)
C234	0.2428 (9)	0.1136 (4)	0.25750 (18)	0.031 (2)*	0.64 (3)
C235	0.3133 (8)	0.0910 (5)	0.2706 (2)	0.043 (3)*	0.64 (3)
C236	0.3353 (6)	0.0632 (6)	0.3147 (3)	0.036 (2)*	0.64 (3)
C271	0.2786 (10)	0.0554 (10)	0.3467 (3)	0.034 (2)*	0.36 (3)
C272	0.2077 (9)	0.0713 (11)	0.3376 (4)	0.043 (3)*	0.36 (3)
C273	0.1775 (10)	0.1013 (9)	0.2953 (6)	0.041 (3)*	0.36 (3)
C274	0.2182 (15)	0.1153 (7)	0.2621 (4)	0.031 (2)*	0.36 (3)
C275	0.2892 (15)	0.0994 (9)	0.2712 (4)	0.043 (3)*	0.36 (3)
C276	0.3193 (11)	0.0694 (10)	0.3135 (5)	0.036 (2)*	0.36 (3)
Si22	0.33635 (9)	−0.18500 (7)	0.38658 (6)	0.0242 (4)
O22	0.3220 (3)	−0.1528 (2)	0.43474 (14)	0.0310 (12)
C241	0.2898 (2)	−0.12619 (16)	0.33721 (11)	0.0262 (15)*
C242	0.2199 (2)	−0.08940 (19)	0.34099 (12)	0.0358 (17)*
C243	0.18472 (18)	−0.04545 (18)	0.30546 (16)	0.048 (2)*
C244	0.2194 (3)	−0.03830 (19)	0.26617 (14)	0.061 (2)*
C245	0.2892 (3)	−0.0751 (2)	0.26239 (12)	0.068 (3)*
C246	0.32440 (18)	−0.11904 (19)	0.29791 (15)	0.047 (2)*
C251	0.3016 (6)	−0.2464 (4)	0.3957 (4)	0.0269 (17)*	0.50
C252	0.3446 (4)	−0.3037 (5)	0.4147 (4)	0.050 (3)*	0.50
C253	0.3191 (5)	−0.3488 (3)	0.4201 (4)	0.060 (4)*	0.50
C254	0.2505 (5)	−0.3365 (3)	0.4065 (4)	0.048 (3)*	0.50
C255	0.2074 (4)	−0.2792 (4)	0.3874 (4)	0.039 (2)*	0.50
C256	0.2330 (5)	−0.2341 (3)	0.3820 (4)	0.035 (2)*	0.50
C281	0.2986 (6)	−0.2445 (4)	0.3912 (4)	0.0269 (17)*	0.50
C282	0.3405 (4)	−0.3043 (5)	0.3881 (4)	0.050 (3)*	0.50
C283	0.3104 (5)	−0.3460 (3)	0.3869 (4)	0.060 (4)*	0.50
C284	0.2384 (5)	−0.3280 (4)	0.3888 (4)	0.048 (3)*	0.50
C285	0.1964 (4)	−0.2682 (4)	0.3918 (4)	0.039 (2)*	0.50
C286	0.2265 (5)	−0.2265 (3)	0.3931 (4)	0.035 (2)*	0.50
C261	0.43357 (10)	−0.2221 (2)	0.37803 (14)	0.0310 (17)*
C262	0.47990 (17)	−0.2174 (2)	0.40970 (15)	0.053 (2)*
C263	0.55150 (15)	−0.2470 (3)	0.40563 (18)	0.068 (3)*
C264	0.57678 (11)	−0.2814 (2)	0.3699 (2)	0.068 (3)*
C265	0.53045 (18)	−0.2861 (2)	0.33821 (17)	0.060 (2)*
C266	0.45885 (16)	−0.2565 (2)	0.34228 (14)	0.045 (2)*
N21	0.1682 (6)	−0.0149 (5)	0.4642 (3)	0.057 (4)*	0.50
C22	0.1552 (10)	−0.0645 (7)	0.4704 (5)	0.059 (3)*	0.50
C23	0.0921 (8)	−0.0640 (8)	0.4874 (5)	0.063 (3)*	0.50
C24	0.0414 (8)	−0.0101 (5)	0.4983 (3)	0.062 (4)*	0.50
C25	0.0560 (8)	0.0411 (7)	0.4916 (4)	0.062 (4)*	0.50
C26	0.1201 (7)	0.0373 (7)	0.4744 (4)	0.060 (4)*	0.50
N21A	−0.1558 (8)	−0.0014 (6)	0.5512 (4)	0.066 (3)*	0.50
C22A	−0.1479 (10)	0.0447 (8)	0.5261 (5)	0.059 (3)*	0.50
C23A	−0.0865 (8)	0.0462 (7)	0.5076 (6)	0.063 (3)*	0.50
C24A	−0.0272 (8)	−0.0071 (5)	0.5167 (3)	0.062 (4)*	0.50
C25A	−0.0339 (8)	−0.0556 (7)	0.5426 (4)	0.062 (4)*	0.50
C26A	−0.0986 (7)	−0.0511 (7)	0.5591 (5)	0.060 (4)*	0.50
Si31	0.81438 (9)	0.52839 (8)	−0.09437 (6)	0.0311 (5)
O31	0.7892 (3)	0.4746 (2)	−0.07523 (18)	0.0397 (13)
C311	0.7779 (2)	0.59103 (13)	−0.05691 (11)	0.0316 (17)*
C312	0.7752 (3)	0.57671 (14)	−0.01014 (11)	0.043 (2)*
C313	0.7498 (3)	0.62199 (19)	0.01805 (10)	0.054 (2)*
C314	0.7272 (3)	0.68159 (17)	−0.00054 (14)	0.046 (2)*
C315	0.7299 (3)	0.69591 (12)	−0.04731 (15)	0.050 (2)*
C316	0.7553 (2)	0.65063 (14)	−0.07550 (11)	0.0388 (19)*
C321	0.91333 (10)	0.49591 (19)	−0.08958 (16)	0.0279 (16)*
C322	0.95168 (18)	0.4467 (2)	−0.11188 (16)	0.0405 (19)*
C323	1.02428 (17)	0.42329 (18)	−0.10859 (17)	0.042 (2)*
C324	1.05853 (10)	0.4491 (2)	−0.08300 (17)	0.0414 (19)*
C325	1.02019 (17)	0.4983 (2)	−0.06070 (16)	0.0385 (19)*
C326	0.94759 (17)	0.52172 (17)	−0.06399 (15)	0.0336 (17)*
C331	0.7835 (2)	0.5584 (2)	−0.15590 (8)	0.0367 (18)*
C332	0.7141 (2)	0.5722 (2)	−0.16831 (12)	0.051 (2)*
C333	0.68892 (19)	0.5974 (2)	−0.21257 (15)	0.056 (2)*
C334	0.7332 (3)	0.6086 (2)	−0.24442 (10)	0.054 (2)*
C335	0.8027 (2)	0.5948 (2)	−0.23200 (12)	0.054 (2)*
C336	0.82783 (19)	0.5696 (2)	−0.18774 (14)	0.042 (2)*
Si32	0.83738 (10)	0.31576 (8)	−0.11003 (6)	0.0322 (5)
O32	0.8309 (4)	0.3544 (2)	−0.06664 (17)	0.068 (2)
C341	0.78847 (19)	0.36646 (16)	−0.16274 (10)	0.0242 (15)*
C342	0.71943 (19)	0.37609 (18)	−0.17292 (12)	0.0338 (17)*
C343	0.68371 (15)	0.41589 (19)	−0.21050 (14)	0.0382 (18)*
C344	0.7170 (2)	0.44606 (17)	−0.23789 (12)	0.043 (2)*
C345	0.7861 (2)	0.43644 (18)	−0.22771 (12)	0.0308 (16)*
C346	0.82178 (15)	0.39664 (18)	−0.19014 (13)	0.0248 (15)*
C351	0.8045 (4)	0.2562 (3)	−0.0870 (3)	0.030 (2)*	0.598 (5)
C352	0.7817 (4)	0.2566 (3)	−0.0425 (2)	0.040 (3)*	0.598 (5)
C353	0.7571 (4)	0.2137 (4)	−0.0245 (2)	0.045 (3)*	0.598 (5)
C354	0.7553 (5)	0.1704 (3)	−0.0509 (3)	0.051 (3)*	0.598 (5)
C355	0.7781 (5)	0.1701 (3)	−0.0953 (3)	0.062 (4)*	0.598 (5)
C356	0.8027 (5)	0.2130 (3)	−0.1134 (2)	0.046 (3)*	0.598 (5)
C371	0.7980 (6)	0.2574 (4)	−0.0999 (4)	0.030 (2)*	0.402 (5)
C372	0.7290 (5)	0.2724 (3)	−0.0878 (4)	0.040 (3)*	0.402 (5)
C373	0.7034 (5)	0.2278 (5)	−0.0779 (4)	0.045 (3)*	0.402 (5)
C374	0.7468 (6)	0.1682 (4)	−0.0802 (5)	0.051 (3)*	0.402 (5)
C375	0.8158 (6)	0.1532 (3)	−0.0923 (5)	0.062 (4)*	0.402 (5)
C376	0.8414 (5)	0.1979 (5)	−0.1022 (5)	0.046 (3)*	0.402 (5)
C361	0.93206 (15)	0.2773 (5)	−0.1250 (3)	0.0313 (18)*	0.67 (2)
C362	0.9850 (2)	0.2787 (5)	−0.0972 (4)	0.059 (3)*	0.67 (2)
C363	1.05454 (16)	0.2483 (4)	−0.1071 (5)	0.065 (3)*	0.67 (2)
C364	1.0711 (3)	0.2165 (4)	−0.1448 (5)	0.045 (3)*	0.67 (2)
C365	1.0182 (4)	0.2151 (4)	−0.1726 (4)	0.053 (3)*	0.67 (2)
C366	0.9486 (3)	0.2454 (4)	−0.1627 (3)	0.040 (2)*	0.67 (2)
C381	0.93493 (16)	0.2792 (10)	−0.1176 (6)	0.0313 (18)*	0.33 (2)
C382	0.9811 (3)	0.2775 (10)	−0.0830 (8)	0.059 (3)*	0.33 (2)
C383	1.0527 (3)	0.2489 (9)	−0.0876 (10)	0.065 (3)*	0.33 (2)
C384	1.0782 (3)	0.2220 (9)	−0.1268 (10)	0.045 (3)*	0.33 (2)
C385	1.0320 (7)	0.2238 (9)	−0.1614 (7)	0.053 (3)*	0.33 (2)
C386	0.9604 (6)	0.2524 (10)	−0.1568 (5)	0.040 (2)*	0.33 (2)
N31	0.6578 (7)	0.4912 (6)	−0.0552 (4)	0.064 (3)*	0.50
C32	0.6435 (8)	0.4426 (7)	−0.0515 (4)	0.062 (4)*	0.50
C33	0.5815 (7)	0.4443 (7)	−0.0323 (4)	0.061 (4)*	0.50
C34	0.5339 (9)	0.4963 (6)	−0.0169 (4)	0.073 (4)*	0.50
C35	0.5508 (10)	0.5462 (8)	−0.0213 (5)	0.056 (3)*	0.50
C36	0.6137 (8)	0.5419 (8)	−0.0406 (5)	0.060 (3)*	0.50
N31A	0.3407 (9)	0.5050 (6)	0.0431 (4)	0.064 (3)*	0.50
C32A	0.3461 (9)	0.5502 (7)	0.0156 (4)	0.062 (4)*	0.50
C33A	0.4064 (7)	0.5511 (7)	−0.0051 (5)	0.061 (4)*	0.50
C34A	0.4669 (9)	0.4993 (6)	0.0040 (4)	0.073 (4)*	0.50
C35A	0.4622 (11)	0.4518 (9)	0.0328 (5)	0.056 (3)*	0.50
C36A	0.3991 (8)	0.4558 (8)	0.0514 (6)	0.060 (3)*	0.50
Si41	0.81647 (9)	0.53354 (8)	0.40635 (6)	0.0331 (5)
O41	0.7888 (3)	0.4806 (2)	0.42510 (19)	0.0392 (13)
C411	0.7799 (2)	0.59646 (16)	0.44357 (14)	0.0367 (18)*
C412	0.7746 (3)	0.58084 (14)	0.48985 (15)	0.046 (2)*
C413	0.7477 (3)	0.6252 (2)	0.51872 (11)	0.052 (2)*
C414	0.7262 (3)	0.68512 (18)	0.50132 (15)	0.049 (2)*
C415	0.7316 (3)	0.70074 (13)	0.45504 (16)	0.048 (2)*
C416	0.7584 (3)	0.65641 (19)	0.42617 (11)	0.0381 (18)*
C421	0.91539 (10)	0.49957 (19)	0.41172 (16)	0.0313 (17)*
C422	0.95236 (18)	0.4493 (2)	0.39010 (16)	0.0392 (19)*
C423	1.02497 (18)	0.42431 (18)	0.39352 (17)	0.044 (2)*
C424	1.06060 (10)	0.4495 (2)	0.41856 (17)	0.0392 (19)*
C425	1.02363 (17)	0.4998 (2)	0.44018 (16)	0.0377 (18)*
C426	0.95103 (17)	0.52478 (17)	0.43676 (15)	0.0341 (17)*
C431	0.7885 (2)	0.5624 (2)	0.34426 (8)	0.0361 (18)*
C432	0.7188 (2)	0.5805 (2)	0.33025 (12)	0.045 (2)*
C433	0.69724 (18)	0.6051 (2)	0.28536 (14)	0.055 (2)*
C434	0.7454 (3)	0.6115 (2)	0.25447 (9)	0.043 (2)*
C435	0.8150 (2)	0.5934 (2)	0.26848 (11)	0.045 (2)*
C436	0.83658 (18)	0.5688 (2)	0.31337 (13)	0.0349 (18)*
Si42	0.83882 (9)	0.32105 (8)	0.39751 (6)	0.0280 (5)
O42	0.8405 (3)	0.3599 (2)	0.43980 (17)	0.0423 (14)
C441	0.78332 (18)	0.37228 (17)	0.34710 (11)	0.0253 (15)*
C442	0.81223 (15)	0.40138 (18)	0.31509 (13)	0.0293 (16)*
C443	0.7702 (2)	0.44236 (18)	0.28008 (12)	0.0339 (17)*
C444	0.6992 (2)	0.45425 (17)	0.27708 (13)	0.045 (2)*
C445	0.67027 (14)	0.42515 (19)	0.30909 (15)	0.0406 (19)*
C446	0.71233 (19)	0.38417 (18)	0.34410 (12)	0.0349 (17)*
C451	0.8013 (2)	0.26438 (17)	0.41983 (15)	0.0254 (15)*
C452	0.7861 (2)	0.26000 (18)	0.46577 (14)	0.0361 (18)*
C453	0.7596 (3)	0.2182 (2)	0.48326 (12)	0.044 (2)*
C454	0.7482 (3)	0.18068 (19)	0.45482 (17)	0.049 (2)*
C455	0.7634 (3)	0.1851 (2)	0.40888 (16)	0.066 (3)*
C456	0.7900 (3)	0.2269 (2)	0.39138 (12)	0.057 (2)*
C461	0.93195 (13)	0.2816 (2)	0.37990 (17)	0.0314 (17)*
C462	0.9871 (2)	0.2824 (2)	0.40588 (16)	0.059 (2)*
C463	1.05559 (17)	0.2516 (3)	0.3940 (2)	0.083 (3)*
C464	1.06890 (14)	0.2199 (3)	0.3562 (2)	0.068 (3)*
C465	1.0137 (2)	0.2191 (2)	0.33026 (17)	0.065 (3)*
C466	0.94526 (19)	0.2500 (2)	0.34209 (16)	0.044 (2)*
N41	0.6611 (8)	0.4977 (6)	0.4568 (3)	0.069 (2)*	0.50
C42	0.6551 (8)	0.4476 (7)	0.4757 (4)	0.048 (3)*	0.50
C43	0.5956 (6)	0.4428 (7)	0.4945 (4)	0.044 (3)*	0.50
C44	0.5366 (9)	0.4960 (6)	0.4932 (4)	0.053 (3)*	0.50
C45	0.5447 (9)	0.5472 (8)	0.4735 (5)	0.048 (3)*	0.50
C46	0.6056 (8)	0.5499 (8)	0.4550 (5)	0.051 (3)*	0.50
N41A	0.3452 (9)	0.4942 (6)	0.5491 (4)	0.069 (2)*	0.50
C42A	0.3606 (7)	0.5426 (7)	0.5471 (4)	0.048 (3)*	0.50
C43A	0.4217 (6)	0.5451 (6)	0.5294 (4)	0.044 (3)*	0.50
C44A	0.4703 (9)	0.4948 (6)	0.5127 (4)	0.053 (3)*	0.50
C45A	0.4570 (9)	0.4434 (8)	0.5137 (5)	0.048 (3)*	0.50
C46A	0.3937 (8)	0.4474 (9)	0.5322 (5)	0.051 (3)*	0.50
Si51	1.06451 (9)	0.28054 (8)	0.15841 (6)	0.0291 (5)
O51	1.0403 (3)	0.2261 (2)	0.17841 (18)	0.0408 (13)*
C511	1.0283 (2)	0.34248 (12)	0.19654 (10)	0.0280 (16)*
C512	1.0265 (2)	0.32722 (12)	0.24327 (11)	0.0348 (18)*
C513	0.9993 (2)	0.37185 (18)	0.27185 (9)	0.0406 (19)*
C514	0.9739 (2)	0.43175 (15)	0.25371 (13)	0.043 (2)*
C515	0.9757 (2)	0.44701 (11)	0.20698 (14)	0.0383 (18)*
C516	1.0029 (2)	0.40238 (14)	0.17840 (10)	0.0322 (17)*
C521	1.16353 (10)	0.2477 (2)	0.16175 (16)	0.0324 (17)*
C522	1.20066 (18)	0.1995 (2)	0.13816 (16)	0.0414 (19)*
C523	1.27328 (18)	0.17498 (19)	0.14113 (17)	0.050 (2)*
C524	1.30878 (10)	0.1987 (2)	0.16769 (18)	0.048 (2)*
C525	1.27165 (18)	0.2470 (2)	0.19129 (16)	0.044 (2)*
C526	1.19903 (18)	0.27149 (18)	0.18831 (16)	0.0343 (17)*
C531	1.0322 (2)	0.3108 (2)	0.09716 (8)	0.0294 (16)*
C532	0.9626 (2)	0.3258 (2)	0.08435 (12)	0.0410 (19)*
C533	0.93851 (19)	0.3501 (2)	0.03978 (14)	0.045 (2)*
C534	0.9840 (3)	0.3595 (2)	0.00802 (9)	0.058 (2)*
C535	1.0535 (2)	0.3446 (2)	0.02083 (11)	0.052 (2)*
C536	1.07762 (18)	0.3202 (2)	0.06540 (13)	0.0406 (19)*
Si52	1.08812 (11)	0.07075 (10)	0.14308 (11)	0.0664 (9)
O52	1.0810 (4)	0.1046 (3)	0.1870 (2)	0.086 (3)
C541	1.0288 (3)	0.1230 (5)	0.0946 (3)	0.057 (3)*	0.50
C542	0.9583 (3)	0.1328 (5)	0.0930 (3)	0.072 (4)*	0.50
C543	0.9131 (4)	0.1757 (5)	0.0604 (4)	0.069 (4)*	0.50
C544	0.9383 (5)	0.2089 (4)	0.0292 (4)	0.065 (4)*	0.50
C545	1.0087 (6)	0.1991 (4)	0.0308 (3)	0.073 (4)*	0.50
C546	1.0540 (4)	0.1562 (5)	0.0634 (3)	0.058 (3)*	0.50
C571	1.0407 (6)	0.1258 (5)	0.0918 (3)	0.057 (3)*	0.50
C572	0.9684 (6)	0.1552 (6)	0.0913 (3)	0.072 (4)*	0.50
C573	0.9330 (4)	0.1944 (5)	0.0534 (4)	0.069 (4)*	0.50
C574	0.9698 (6)	0.2042 (5)	0.0160 (3)	0.065 (4)*	0.50
C575	1.0421 (6)	0.1748 (5)	0.0165 (3)	0.073 (4)*	0.50
C576	1.0775 (4)	0.1356 (5)	0.0544 (4)	0.058 (3)*	0.50
C551	1.0579 (5)	0.0127 (3)	0.17299 (19)	0.042 (3)*	0.50
C552	1.0375 (5)	0.0149 (3)	0.21801 (19)	0.037 (4)*	0.50
C553	1.0117 (5)	−0.0263 (4)	0.2382 (2)	0.052 (4)*	0.50
C554	1.0063 (6)	−0.0696 (4)	0.2133 (3)	0.059 (5)*	0.50
C555	1.0267 (6)	−0.0718 (3)	0.1683 (3)	0.044 (4)*	0.50
C556	1.0525 (5)	−0.0307 (3)	0.1481 (2)	0.042 (4)*	0.50
C581	1.0505 (5)	0.0116 (3)	0.1412 (4)	0.042 (3)*	0.50
C582	1.0868 (4)	−0.0397 (4)	0.1709 (3)	0.042 (4)*	0.50
C583	1.0627 (5)	−0.0857 (3)	0.1770 (3)	0.054 (5)*	0.50
C584	1.0024 (5)	−0.0804 (3)	0.1535 (4)	0.042 (4)*	0.50
C585	0.9662 (4)	−0.0291 (4)	0.1239 (4)	0.056 (5)*	0.50
C586	0.9902 (5)	0.0169 (3)	0.1177 (3)	0.053 (4)*	0.50
C561	1.18292 (13)	0.0334 (2)	0.12811 (17)	0.0407 (19)*
C562	1.2339 (2)	0.0383 (2)	0.15583 (14)	0.0394 (19)*
C563	1.30417 (17)	0.0081 (2)	0.14772 (16)	0.044 (2)*
C564	1.32351 (13)	−0.0269 (2)	0.11189 (18)	0.047 (2)*
C565	1.2726 (2)	−0.0318 (2)	0.08418 (16)	0.057 (2)*
C566	1.20225 (18)	−0.0016 (2)	0.09229 (16)	0.058 (2)*
Si61	0.43278 (8)	0.21927 (8)	0.34410 (5)	0.0254 (5)
O61	0.4583 (2)	0.2731 (2)	0.32502 (17)	0.0343 (12)
C611	0.4685 (2)	0.15689 (14)	0.30635 (12)	0.0253 (15)*
C612	0.4729 (2)	0.17278 (12)	0.26001 (13)	0.0341 (17)*
C613	0.5008 (2)	0.12860 (18)	0.23112 (10)	0.0409 (19)*
C614	0.5242 (2)	0.06854 (15)	0.24857 (13)	0.0347 (17)*
C615	0.5198 (2)	0.05264 (11)	0.29491 (14)	0.0331 (17)*
C616	0.4919 (2)	0.09682 (17)	0.32380 (10)	0.0308 (16)*
C621	0.33380 (10)	0.2539 (2)	0.34047 (17)	0.0305 (17)*
C622	0.29801 (18)	0.3039 (2)	0.36270 (16)	0.0411 (19)*
C623	0.22539 (18)	0.32936 (19)	0.36017 (18)	0.052 (2)*
C624	0.18855 (10)	0.3049 (2)	0.33541 (19)	0.048 (2)*
C625	0.22434 (18)	0.2550 (2)	0.31318 (17)	0.047 (2)*
C626	0.29696 (18)	0.22946 (18)	0.31571 (16)	0.0398 (19)*
C631	0.4634 (2)	0.1883 (2)	0.40550 (8)	0.0285 (16)*
C632	0.5319 (2)	0.1749 (2)	0.42018 (11)	0.0390 (19)*
C633	0.55423 (18)	0.1495 (2)	0.46482 (13)	0.0414 (19)*
C634	0.5081 (2)	0.1376 (2)	0.49477 (9)	0.046 (2)*
C635	0.4397 (2)	0.1510 (2)	0.48009 (11)	0.044 (2)*
C636	0.41733 (17)	0.1764 (2)	0.43546 (13)	0.0405 (19)*
Si62	0.41816 (9)	0.42700 (8)	0.35367 (7)	0.0401 (6)
O62	0.4151 (3)	0.3937 (2)	0.31012 (17)	0.0427 (14)
C641	0.4764 (2)	0.3735 (2)	0.40215 (14)	0.044 (2)*
C642	0.5483 (3)	0.3563 (2)	0.40017 (14)	0.058 (2)*
C643	0.59236 (17)	0.3146 (2)	0.43405 (18)	0.059 (2)*
C644	0.5644 (2)	0.2901 (2)	0.46991 (15)	0.054 (2)*
C645	0.4925 (3)	0.3074 (2)	0.47190 (14)	0.068 (3)*
C646	0.44846 (18)	0.3491 (2)	0.43801 (17)	0.055 (2)*
C651	0.4568 (3)	0.48358 (18)	0.33316 (12)	0.047 (2)*
C652	0.4717 (2)	0.49210 (18)	0.28750 (11)	0.0321 (17)*
C653	0.5006 (3)	0.5335 (2)	0.27324 (12)	0.043 (2)*
C654	0.5145 (3)	0.56642 (19)	0.30465 (16)	0.051 (2)*
C655	0.4996 (3)	0.55790 (19)	0.35031 (14)	0.049 (2)*
C656	0.4708 (3)	0.5165 (2)	0.36457 (11)	0.045 (2)*
C661	0.32661 (13)	0.4658 (2)	0.37418 (15)	0.0338 (17)*
C662	0.2707 (2)	0.4690 (2)	0.34682 (13)	0.0386 (18)*
C663	0.20262 (16)	0.4990 (2)	0.35962 (15)	0.0416 (19)*
C664	0.19036 (13)	0.5259 (2)	0.39979 (16)	0.044 (2)*
C665	0.2462 (2)	0.5227 (2)	0.42714 (13)	0.0408 (19)*
C666	0.31436 (16)	0.4927 (2)	0.41434 (14)	0.0378 (18)*
N51	0.9120 (3)	0.2450 (2)	0.21171 (14)	0.0318 (10)*
C52	0.8975 (4)	0.1956 (3)	0.21493 (19)	0.0490 (16)*
C53	0.8353 (3)	0.1952 (3)	0.23130 (17)	0.0415 (14)*
C54	0.7855 (3)	0.2471 (2)	0.24532 (15)	0.0263 (11)*
C55	0.8010 (3)	0.2982 (3)	0.2416 (2)	0.0388 (13)*
C56	0.8650 (3)	0.2944 (3)	0.2246 (2)	0.0455 (15)*
N61	0.5891 (3)	0.2524 (2)	0.29660 (14)	0.0318 (10)*
C62	0.5964 (4)	0.3010 (3)	0.27710 (18)	0.0490 (16)*
C63	0.6585 (3)	0.3010 (3)	0.26024 (19)	0.0415 (14)*
C64	0.7174 (3)	0.2492 (2)	0.26302 (15)	0.0263 (11)*
C65	0.7100 (4)	0.1981 (3)	0.2836 (2)	0.0388 (13)*
C66	0.6456 (3)	0.2022 (3)	0.2994 (2)	0.0455 (15)*
Si71	1.06759 (9)	0.27533 (8)	0.65760 (6)	0.0300 (5)
O71	1.0461 (2)	0.2194 (2)	0.67693 (17)	0.0365 (12)
C711	1.0298 (2)	0.33771 (16)	0.69519 (14)	0.0334 (17)*
C712	1.0321 (2)	0.32183 (13)	0.74212 (15)	0.043 (2)*
C713	1.0056 (3)	0.3659 (2)	0.77119 (10)	0.042 (2)*
C714	0.9767 (2)	0.42595 (17)	0.75332 (14)	0.046 (2)*
C715	0.9743 (2)	0.44184 (12)	0.70639 (15)	0.0382 (18)*
C716	1.0009 (2)	0.39772 (18)	0.67732 (10)	0.0364 (18)*
C721	1.16653 (10)	0.2449 (2)	0.66094 (17)	0.0355 (18)*
C722	1.20463 (19)	0.1959 (2)	0.63833 (17)	0.046 (2)*
C723	1.27724 (19)	0.1723 (2)	0.64150 (18)	0.059 (2)*
C724	1.31174 (10)	0.1977 (2)	0.66728 (19)	0.047 (2)*
C725	1.27364 (18)	0.2467 (2)	0.68989 (17)	0.0414 (19)*
C726	1.20103 (18)	0.27030 (18)	0.68672 (16)	0.0377 (18)*
C731	1.0334 (2)	0.3055 (2)	0.59665 (8)	0.0312 (17)*
C732	0.9627 (2)	0.3229 (2)	0.58600 (12)	0.0387 (19)*
C733	0.93581 (18)	0.3496 (2)	0.54233 (15)	0.051 (2)*
C734	0.9797 (3)	0.3589 (2)	0.50931 (10)	0.057 (2)*
C735	1.0504 (2)	0.3416 (2)	0.51996 (11)	0.051 (2)*
C736	1.07730 (18)	0.3149 (2)	0.56363 (13)	0.0386 (19)*
Si72	1.09181 (10)	0.06379 (10)	0.64050 (10)	0.0578 (8)
O72	1.0846 (4)	0.0982 (2)	0.6839 (2)	0.078 (2)
C741	1.0390 (3)	0.1151 (5)	0.5893 (3)	0.063 (3)*	0.50
C742	0.9685 (3)	0.1260 (5)	0.5841 (3)	0.071 (4)*	0.50
C743	0.9275 (4)	0.1684 (5)	0.5494 (3)	0.063 (4)*	0.50
C744	0.9570 (6)	0.1999 (5)	0.5199 (4)	0.072 (4)*	0.50
C745	1.0274 (6)	0.1890 (5)	0.5251 (3)	0.075 (4)*	0.50
C746	1.0685 (4)	0.1466 (5)	0.5598 (3)	0.069 (4)*	0.50
C771	1.0508 (6)	0.1187 (5)	0.5879 (3)	0.063 (3)*	0.50
C772	0.9794 (6)	0.1531 (6)	0.5862 (3)	0.071 (4)*	0.50
C773	0.9481 (5)	0.1928 (5)	0.5476 (4)	0.063 (4)*	0.50
C774	0.9881 (7)	0.1982 (5)	0.5107 (3)	0.072 (4)*	0.50
C775	1.0595 (6)	0.1638 (6)	0.5124 (3)	0.075 (4)*	0.50
C776	1.0908 (5)	0.1240 (5)	0.5510 (4)	0.069 (4)*	0.50
C751	1.0575 (5)	0.0070 (3)	0.6679 (2)	0.044 (3)*	0.50
C752	1.0347 (5)	0.0094 (3)	0.7124 (2)	0.033 (3)*	0.50
C753	1.0075 (5)	−0.0315 (4)	0.7313 (2)	0.042 (4)*	0.50
C754	1.0032 (6)	−0.0746 (4)	0.7057 (3)	0.052 (3)*	0.50
C755	1.0261 (6)	−0.0769 (4)	0.6612 (3)	0.077 (4)*	0.50
C756	1.0532 (6)	−0.0361 (4)	0.6423 (3)	0.075 (5)*	0.50
C781	1.0545 (3)	0.0046 (2)	0.6377 (4)	0.044 (3)*	0.50
C782	0.9843 (3)	0.0211 (3)	0.6260 (4)	0.053 (4)*	0.50
C783	0.9553 (4)	−0.0217 (4)	0.6296 (4)	0.072 (6)*	0.50
C784	0.9965 (5)	−0.0811 (4)	0.6450 (4)	0.052 (3)*	0.50
C785	1.0668 (5)	−0.0976 (3)	0.6567 (4)	0.077 (4)*	0.50
C786	1.0958 (4)	−0.0548 (2)	0.6530 (4)	0.075 (5)*	0.50
C761	1.18736 (12)	0.0243 (2)	0.62804 (17)	0.0388 (19)*
C762	1.2371 (2)	0.0318 (2)	0.65518 (14)	0.0345 (17)*
C763	1.30779 (17)	0.0015 (2)	0.64829 (16)	0.050 (2)*
C764	1.32879 (12)	−0.0363 (2)	0.61427 (18)	0.051 (2)*
C765	1.2791 (2)	−0.0439 (2)	0.58713 (16)	0.051 (2)*
C766	1.20836 (18)	−0.0136 (2)	0.59401 (16)	0.049 (2)*
Si81	0.43651 (9)	0.22422 (8)	0.84491 (6)	0.0280 (5)
O81	0.4638 (2)	0.2775 (2)	0.82704 (17)	0.0346 (12)
C811	0.4714 (2)	0.16239 (15)	0.80662 (13)	0.0306 (16)*
C812	0.4740 (2)	0.17892 (13)	0.76017 (14)	0.042 (2)*
C813	0.4993 (3)	0.1352 (2)	0.73064 (10)	0.042 (2)*
C814	0.5220 (2)	0.07504 (17)	0.74755 (14)	0.046 (2)*
C815	0.5194 (2)	0.05851 (12)	0.79399 (15)	0.0377 (18)*
C816	0.4940 (2)	0.10218 (18)	0.82352 (10)	0.0330 (17)*
C821	0.33752 (10)	0.2579 (2)	0.84153 (17)	0.0359 (18)*
C822	0.30059 (19)	0.3073 (2)	0.86409 (17)	0.044 (2)*
C823	0.22795 (19)	0.3312 (2)	0.86185 (18)	0.060 (2)*
C824	0.19224 (10)	0.3059 (2)	0.83705 (19)	0.050 (2)*
C825	0.22916 (19)	0.2565 (2)	0.81449 (18)	0.050 (2)*
C826	0.30180 (19)	0.23253 (19)	0.81673 (17)	0.044 (2)*
C831	0.4671 (2)	0.1920 (2)	0.90615 (8)	0.0283 (16)*
C832	0.5369 (2)	0.1740 (2)	0.91993 (12)	0.0413 (19)*
C833	0.55952 (18)	0.1463 (2)	0.96405 (14)	0.055 (2)*
C834	0.5124 (3)	0.1368 (2)	0.99438 (9)	0.050 (2)*
C835	0.4427 (2)	0.1548 (2)	0.98059 (12)	0.045 (2)*
C836	0.42002 (18)	0.1824 (2)	0.93648 (13)	0.0363 (18)*
Si82	0.41953 (10)	0.43211 (9)	0.86498 (9)	0.0457 (6)
O82	0.4315 (3)	0.4001 (2)	0.8193 (2)	0.0520 (16)
C841	0.4626 (6)	0.3819 (5)	0.9193 (3)	0.053 (3)*	0.50
C842	0.5319 (6)	0.3692 (5)	0.9314 (3)	0.069 (4)*	0.50
C843	0.5638 (5)	0.3291 (5)	0.9697 (4)	0.074 (4)*	0.50
C844	0.5264 (6)	0.3017 (5)	0.9959 (3)	0.065 (4)*	0.50
C845	0.4571 (6)	0.3144 (5)	0.9839 (3)	0.076 (4)*	0.50
C846	0.4252 (4)	0.3545 (6)	0.9456 (4)	0.060 (3)*	0.50
C871	0.4740 (3)	0.3677 (4)	0.9086 (2)	0.053 (3)*	0.50
C872	0.5433 (3)	0.3340 (4)	0.9003 (3)	0.069 (4)*	0.50
C873	0.5851 (4)	0.2898 (4)	0.9336 (4)	0.074 (4)*	0.50
C874	0.5576 (5)	0.2794 (4)	0.9753 (3)	0.065 (4)*	0.50
C875	0.4883 (6)	0.3132 (5)	0.9836 (2)	0.076 (4)*	0.50
C876	0.4465 (4)	0.3574 (4)	0.9502 (2)	0.060 (3)*	0.50
C851	0.4542 (2)	0.49353 (17)	0.85576 (18)	0.0421 (19)*
C852	0.5247 (2)	0.47779 (15)	0.84754 (18)	0.0414 (19)*
C853	0.5520 (2)	0.5217 (2)	0.84159 (19)	0.054 (2)*
C854	0.5089 (3)	0.58131 (19)	0.8439 (2)	0.060 (2)*
C855	0.4384 (3)	0.59705 (14)	0.8521 (2)	0.064 (3)*
C856	0.41104 (19)	0.5532 (2)	0.85803 (18)	0.045 (2)*
C861	0.32236 (11)	0.4679 (2)	0.87421 (16)	0.0354 (18)*
C862	0.2747 (2)	0.4690 (2)	0.84084 (14)	0.0397 (19)*
C863	0.20350 (17)	0.4992 (2)	0.84602 (15)	0.051 (2)*
C864	0.17986 (12)	0.5282 (2)	0.88457 (18)	0.048 (2)*
C865	0.2275 (2)	0.5271 (2)	0.91794 (15)	0.052 (2)*
C866	0.29872 (18)	0.4970 (2)	0.91276 (15)	0.050 (2)*
N71	0.9166 (3)	0.2344 (2)	0.70353 (14)	0.0291 (10)*
C72	0.8993 (3)	0.1872 (3)	0.70794 (16)	0.0336 (12)*
C73	0.8373 (3)	0.1879 (3)	0.72561 (16)	0.0301 (11)*
C74	0.7890 (3)	0.2408 (2)	0.73922 (15)	0.0198 (10)*
C75	0.8070 (3)	0.2900 (3)	0.73486 (19)	0.0337 (12)*
C76	0.8710 (3)	0.2844 (3)	0.7173 (2)	0.0384 (13)*
N81	0.5952 (3)	0.2509 (2)	0.79624 (14)	0.0291 (10)*
C82	0.5997 (3)	0.2965 (3)	0.76983 (17)	0.0336 (12)*
C83	0.6608 (3)	0.2950 (3)	0.75110 (18)	0.0301 (11)*
C84	0.7210 (3)	0.2443 (2)	0.75892 (15)	0.0198 (10)*
C85	0.7178 (3)	0.1959 (3)	0.78664 (19)	0.0337 (12)*
C86	0.6541 (3)	0.2016 (3)	0.8046 (2)	0.0384 (13)*
H11	0.2523	−0.0110	−0.0599	0.066*
H122	0.4261	−0.0678	−0.1327	0.047*
H123	0.5484	−0.1095	−0.1288	0.053*
H124	0.6096	−0.0705	−0.0843	0.045*
H125	0.5484	0.0102	−0.0437	0.043*
H126	0.4262	0.0519	−0.0476	0.043*
H112	0.2944	0.0331	0.0043	0.053*
H113	0.2525	0.1073	0.0534	0.060*
H114	0.2143	0.2084	0.0242	0.063*
H115	0.2180	0.2352	−0.0543	0.060*
H116	0.2600	0.1610	−0.1034	0.051*
H132	0.1830	0.0543	−0.1419	0.062*	0.50
H133	0.1328	0.1012	−0.2140	0.066*	0.50
H134	0.1983	0.1323	−0.2680	0.045*	0.50
H135	0.3141	0.1166	−0.2499	0.054*	0.50
H136	0.3643	0.0697	−0.1777	0.050*	0.50
H172	0.1857	0.0727	−0.1477	0.062*	0.50
H173	0.1488	0.1188	−0.2222	0.066*	0.50
H174	0.2294	0.1326	−0.2732	0.045*	0.50
H175	0.3469	0.1004	−0.2497	0.054*	0.50
H176	0.3839	0.0543	−0.1752	0.050*	0.50
H12	0.3266	−0.1108	−0.0715	0.072*
H142	0.1856	−0.1041	−0.1310	0.064*
H143	0.1187	−0.0339	−0.1907	0.093*
H144	0.1733	−0.0103	−0.2553	0.091*
H145	0.2946	−0.0567	−0.2601	0.076*
H146	0.3615	−0.1269	−0.2003	0.054*
H152	0.3777	−0.2962	−0.0557	0.058*	0.50
H153	0.3360	−0.3728	−0.0443	0.057*	0.50
H154	0.2331	−0.3629	−0.0827	0.050*	0.50
H155	0.1719	−0.2765	−0.1325	0.059*	0.50
H156	0.2136	−0.1999	−0.1439	0.050*	0.50
H162	0.4685	−0.1928	−0.0723	0.070*
H163	0.5855	−0.2431	−0.0894	0.101*
H164	0.6134	−0.2960	−0.1532	0.100*
H165	0.5243	−0.2986	−0.1999	0.089*
H166	0.4072	−0.2482	−0.1829	0.056*
H182	0.2910	−0.2239	−0.0253	0.058*	0.50
H183	0.2414	−0.2931	−0.0018	0.057*	0.50
H184	0.2141	−0.3454	−0.0555	0.050*	0.50
H185	0.2363	−0.3286	−0.1326	0.059*	0.50
H186	0.2859	−0.2595	−0.1561	0.050*	0.50
H12A	0.1880	−0.0951	−0.0302	0.055*	0.50
H13	0.0839	−0.0975	−0.0048	0.059*	0.50
H15	0.0199	0.0797	0.0062	0.067*	0.50
H16	0.1266	0.0749	−0.0202	0.070*	0.50
H12B	−0.1933	0.0813	0.0225	0.055*	0.50
H13A	−0.0865	0.0808	−0.0044	0.059*	0.50
H15A	0.0036	−0.0923	0.0510	0.067*	0.50
H16A	−0.1050	−0.0876	0.0761	0.070*	0.50
H21	0.2495	−0.0171	0.4328	0.058*
H212	0.2981	0.0254	0.5044	0.045*
H213	0.2583	0.0983	0.5548	0.053*
H214	0.2179	0.1999	0.5267	0.055*
H215	0.2173	0.2286	0.4482	0.058*
H216	0.2570	0.1557	0.3978	0.046*
H222	0.4280	−0.0726	0.3672	0.041*
H223	0.5503	−0.1113	0.3702	0.045*
H224	0.6096	−0.0705	0.4145	0.048*
H225	0.5467	0.0090	0.4558	0.044*
H226	0.4244	0.0477	0.4527	0.035*
H232	0.1832	0.0772	0.3540	0.052*	0.64 (3)
H233	0.1461	0.1239	0.2796	0.049*	0.64 (3)
H234	0.2277	0.1325	0.2273	0.037*	0.64 (3)
H235	0.3464	0.0945	0.2493	0.051*	0.64 (3)
H236	0.3835	0.0478	0.3237	0.044*	0.64 (3)
H272	0.1798	0.0618	0.3603	0.052*	0.36 (3)
H273	0.1290	0.1122	0.2891	0.049*	0.36 (3)
H274	0.1976	0.1357	0.2332	0.037*	0.36 (3)
H275	0.3170	0.1089	0.2485	0.051*	0.36 (3)
H276	0.3678	0.0585	0.3197	0.044*	0.36 (3)
H22	0.3172	−0.1170	0.4290	0.047*
H242	0.1962	−0.0943	0.3678	0.043*
H243	0.1370	−0.0203	0.3080	0.057*
H244	0.1953	−0.0083	0.2419	0.073*
H245	0.3129	−0.0702	0.2355	0.082*
H246	0.3721	−0.1442	0.2953	0.057*
H252	0.3915	−0.3121	0.4240	0.060*	0.50
H253	0.3485	−0.3880	0.4331	0.072*	0.50
H254	0.2330	−0.3673	0.4102	0.057*	0.50
H255	0.1606	−0.2708	0.3781	0.046*	0.50
H256	0.2036	−0.1949	0.3690	0.042*	0.50
H282	0.3898	−0.3166	0.3868	0.060*	0.50
H283	0.3391	−0.3868	0.3848	0.072*	0.50
H284	0.2178	−0.3565	0.3879	0.057*	0.50
H285	0.1471	−0.2559	0.3931	0.046*	0.50
H286	0.1978	−0.1857	0.3952	0.042*	0.50
H262	0.4626	−0.1939	0.4341	0.064*
H263	0.5832	−0.2438	0.4273	0.081*
H264	0.6257	−0.3016	0.3671	0.082*
H265	0.5477	−0.3095	0.3138	0.072*
H266	0.4272	−0.2597	0.3206	0.054*
H22A	0.1896	−0.1012	0.4630	0.070*	0.50
H23	0.0838	−0.0998	0.4915	0.075*	0.50
H25	0.0225	0.0784	0.4987	0.074*	0.50
H26	0.1299	0.0724	0.4699	0.072*	0.50
H22B	−0.1887	0.0804	0.5202	0.070*	0.50
H23A	−0.0851	0.0807	0.4900	0.075*	0.50
H25A	0.0057	−0.0920	0.5490	0.074*	0.50
H26A	−0.1018	−0.0849	0.5768	0.072*	0.50
H31	0.7454	0.4882	−0.0749	0.060*
H322	0.9283	0.4290	−0.1294	0.049*
H323	1.0505	0.3896	−0.1238	0.051*
H324	1.1081	0.4331	−0.0807	0.050*
H325	1.0436	0.5160	−0.0432	0.046*
H326	0.9214	0.5554	−0.0487	0.040*
H332	0.6838	0.5646	−0.1465	0.061*
H333	0.6414	0.6068	−0.2211	0.067*
H334	0.7160	0.6258	−0.2747	0.065*
H335	0.8329	0.6024	−0.2538	0.065*
H336	0.8753	0.5602	−0.1793	0.050*
H312	0.7907	0.5360	0.0026	0.052*
H313	0.7480	0.6122	0.0500	0.065*
H314	0.7098	0.7125	0.0187	0.055*
H315	0.7144	0.7366	−0.0600	0.059*
H316	0.7571	0.6604	−0.1075	0.047*
H32	0.8149	0.3912	−0.0761	0.102*
H342	0.6967	0.3555	−0.1542	0.041*
H343	0.6365	0.4225	−0.2175	0.046*
H344	0.6926	0.4733	−0.2636	0.052*
H345	0.8088	0.4571	−0.2464	0.037*
H346	0.8690	0.3901	−0.1832	0.030*
H352	0.7830	0.2861	−0.0245	0.048*	0.598 (5)
H353	0.7415	0.2139	0.0059	0.053*	0.598 (5)
H354	0.7385	0.1411	−0.0385	0.061*	0.598 (5)
H355	0.7769	0.1406	−0.1134	0.074*	0.598 (5)
H356	0.8183	0.2128	−0.1438	0.055*	0.598 (5)
H372	0.6994	0.3131	−0.0863	0.048*	0.402 (5)
H373	0.6563	0.2380	−0.0697	0.053*	0.402 (5)
H374	0.7293	0.1377	−0.0734	0.061*	0.402 (5)
H375	0.8455	0.1125	−0.0938	0.074*	0.402 (5)
H376	0.8886	0.1876	−0.1104	0.055*	0.402 (5)
H362	0.9737	0.3005	−0.0714	0.071*	0.67 (2)
H363	1.0907	0.2493	−0.0880	0.078*	0.67 (2)
H364	1.1186	0.1957	−0.1515	0.055*	0.67 (2)
H365	1.0295	0.1933	−0.1983	0.063*	0.67 (2)
H366	0.9124	0.2444	−0.1817	0.048*	0.67 (2)
H382	0.9637	0.2958	−0.0562	0.071*	0.33 (2)
H383	1.0842	0.2477	−0.0639	0.078*	0.33 (2)
H384	1.1271	0.2025	−0.1299	0.055*	0.33 (2)
H385	1.0494	0.2055	−0.1882	0.063*	0.33 (2)
H386	0.9289	0.2536	−0.1805	0.048*	0.33 (2)
H32A	0.6753	0.4068	−0.0619	0.074*	0.50
H33	0.5715	0.4093	−0.0297	0.073*	0.50
H35	0.5200	0.5827	−0.0114	0.067*	0.50
H36	0.6255	0.5760	−0.0435	0.072*	0.50
H32B	0.3047	0.5854	0.0096	0.074*	0.50
H33A	0.4062	0.5852	−0.0243	0.073*	0.50
H35A	0.5028	0.4162	0.0398	0.067*	0.50
H36A	0.3976	0.4224	0.0707	0.072*	0.50
H41	0.7491	0.4962	0.4358	0.059*
H412	0.7893	0.5399	0.5017	0.055*
H413	0.7441	0.6145	0.5503	0.062*
H414	0.7079	0.7154	0.5210	0.059*
H415	0.7169	0.7417	0.4431	0.058*
H416	0.7620	0.6671	0.3945	0.046*
H422	0.9280	0.4321	0.3730	0.047*
H423	1.0502	0.3900	0.3787	0.053*
H424	1.1102	0.4324	0.4209	0.047*
H425	1.0480	0.5170	0.4573	0.045*
H426	0.9258	0.5591	0.4515	0.041*
H432	0.6859	0.5761	0.3514	0.054*
H433	0.6496	0.6174	0.2758	0.066*
H434	0.7306	0.6283	0.2238	0.052*
H435	0.8479	0.5978	0.2474	0.054*
H436	0.8842	0.5564	0.3229	0.042*
H42	0.8241	0.3966	0.4302	0.064*
H442	0.8607	0.3933	0.3171	0.035*
H443	0.7899	0.4622	0.2582	0.041*
H444	0.6704	0.4823	0.2532	0.055*
H445	0.6218	0.4333	0.3070	0.049*
H446	0.6926	0.3643	0.3660	0.042*
H452	0.7938	0.2856	0.4852	0.043*
H453	0.7492	0.2152	0.5147	0.052*
H454	0.7301	0.1521	0.4668	0.058*
H455	0.7557	0.1595	0.3894	0.079*
H456	0.8004	0.2299	0.3600	0.068*
H462	0.9780	0.3040	0.4317	0.071*
H463	1.0933	0.2521	0.4118	0.099*
H464	1.1157	0.1989	0.3482	0.081*
H465	1.0228	0.1975	0.3044	0.078*
H466	0.9076	0.2494	0.3243	0.053*
H42A	0.6956	0.4116	0.4764	0.057*	0.50
H43	0.5952	0.4055	0.5074	0.053*	0.50
H45	0.5050	0.5839	0.4725	0.058*	0.50
H46	0.6076	0.5866	0.4420	0.061*	0.50
H42B	0.3280	0.5773	0.5584	0.057*	0.50
H43A	0.4300	0.5808	0.5286	0.053*	0.50
H45A	0.4886	0.4080	0.5026	0.058*	0.50
H46A	0.3837	0.4125	0.5329	0.061*	0.50
H51	0.9974	0.2404	0.1833	0.061*
H512	1.0438	0.2863	0.2557	0.042*
H513	0.9981	0.3614	0.3038	0.049*
H514	0.9553	0.4622	0.2732	0.051*
H515	0.9584	0.4879	0.1946	0.046*
H516	1.0042	0.4128	0.1465	0.039*
H522	1.1764	0.1833	0.1200	0.050*
H523	1.2987	0.1420	0.1250	0.060*
H524	1.3584	0.1820	0.1697	0.058*
H525	1.2959	0.2632	0.2094	0.053*
H526	1.1737	0.3045	0.2044	0.041*
H532	0.9315	0.3193	0.1061	0.049*
H533	0.8910	0.3603	0.0310	0.054*
H534	0.9675	0.3762	−0.0224	0.069*
H535	1.0846	0.3510	−0.0009	0.062*
H536	1.1252	0.3100	0.0742	0.049*
H52	1.0636	0.1417	0.1792	0.129*
H542	0.9411	0.1101	0.1143	0.087*	0.50
H543	0.8649	0.1824	0.0593	0.083*	0.50
H544	0.9073	0.2383	0.0069	0.079*	0.50
H545	1.0260	0.2218	0.0095	0.088*	0.50
H546	1.1022	0.1495	0.0645	0.069*	0.50
H572	0.9432	0.1486	0.1169	0.087*	0.50
H573	0.8836	0.2146	0.0531	0.083*	0.50
H574	0.9456	0.2310	−0.0099	0.079*	0.50
H575	1.0673	0.1815	−0.0091	0.088*	0.50
H576	1.1269	0.1155	0.0548	0.069*	0.50
H552	1.0411	0.0445	0.2350	0.045*	0.50
H553	0.9977	−0.0247	0.2689	0.062*	0.50
H554	0.9887	−0.0977	0.2271	0.070*	0.50
H555	1.0230	−0.1015	0.1513	0.053*	0.50
H556	1.0664	−0.0322	0.1174	0.051*	0.50
H582	1.1280	−0.0434	0.1869	0.051*	0.50
H583	1.0875	−0.1208	0.1973	0.065*	0.50
H584	0.9860	−0.1118	0.1577	0.050*	0.50
H585	0.9249	−0.0254	0.1078	0.068*	0.50
H586	0.9654	0.0520	0.0974	0.064*	0.50
H562	1.2207	0.0622	0.1803	0.047*
H563	1.3390	0.0114	0.1667	0.052*
H564	1.3716	−0.0476	0.1064	0.056*
H565	1.2858	−0.0557	0.0597	0.069*
H566	1.1674	−0.0049	0.0733	0.070*
H61	0.5016	0.2585	0.3214	0.051*
H612	0.4570	0.2138	0.2481	0.041*
H613	0.5039	0.1395	0.1994	0.049*
H614	0.5433	0.0383	0.2288	0.042*
H615	0.5358	0.0116	0.3068	0.040*
H616	0.4888	0.0860	0.3555	0.037*
H622	0.3232	0.3206	0.3796	0.049*
H623	0.2009	0.3635	0.3754	0.062*
H624	0.1389	0.3223	0.3337	0.057*
H625	0.1992	0.2383	0.2963	0.056*
H626	0.3214	0.1953	0.3005	0.048*
H632	0.5634	0.1830	0.3997	0.047*
H633	0.6010	0.1403	0.4748	0.050*
H634	0.5234	0.1202	0.5253	0.056*
H635	0.4081	0.1429	0.5006	0.053*
H636	0.3705	0.1856	0.4254	0.049*
H62	0.4374	0.3567	0.3164	0.064*
H642	0.5674	0.3730	0.3757	0.069*
H643	0.6415	0.3028	0.4327	0.071*
H644	0.5945	0.2616	0.4931	0.065*
H645	0.4734	0.2907	0.4964	0.081*
H646	0.3993	0.3609	0.4394	0.066*
H652	0.4622	0.4696	0.2660	0.038*
H653	0.5108	0.5393	0.2420	0.052*
H654	0.5342	0.5947	0.2949	0.061*
H655	0.5091	0.5804	0.3718	0.058*
H656	0.4606	0.5107	0.3958	0.054*
H662	0.2791	0.4506	0.3194	0.046*
H663	0.1644	0.5012	0.3409	0.050*
H664	0.1438	0.5464	0.4085	0.053*
H665	0.2378	0.5411	0.4546	0.049*
H666	0.3525	0.4905	0.4330	0.045*
H52A	0.9311	0.1599	0.2056	0.059*
H53	0.8265	0.1596	0.2330	0.050*
H55	0.7685	0.3347	0.2506	0.047*
H56	0.8753	0.3293	0.2220	0.055*
H62A	0.5567	0.3378	0.2745	0.059*
H63	0.6604	0.3374	0.2465	0.050*
H65	0.7488	0.1606	0.2867	0.047*
H66	0.6418	0.1666	0.3133	0.055*
H71	1.0066	0.2328	0.6883	0.055*
H712	1.0519	0.2808	0.7543	0.052*
H713	1.0072	0.3551	0.8033	0.051*
H714	0.9585	0.4561	0.7732	0.055*
H715	0.9546	0.4828	0.6942	0.046*
H716	0.9993	0.4086	0.6452	0.044*
H722	1.1811	0.1785	0.6207	0.055*
H723	1.3033	0.1389	0.6260	0.071*
H724	1.3614	0.1816	0.6694	0.057*
H725	1.2972	0.2641	0.7075	0.050*
H726	1.1750	0.3038	0.7022	0.045*
H732	0.9327	0.3166	0.6086	0.046*
H733	0.8875	0.3615	0.5351	0.061*
H734	0.9613	0.3772	0.4795	0.068*
H735	1.0804	0.3479	0.4974	0.061*
H736	1.1257	0.3030	0.5709	0.046*
H72	1.0744	0.1347	0.6755	0.118*
H742	0.9484	0.1045	0.6042	0.085*	0.50
H743	0.8793	0.1758	0.5458	0.076*	0.50
H744	0.9289	0.2289	0.4962	0.087*	0.50
H745	1.0476	0.2105	0.5050	0.089*	0.50
H746	1.1166	0.1392	0.5634	0.083*	0.50
H772	0.9520	0.1494	0.6114	0.085*	0.50
H773	0.8993	0.2163	0.5464	0.076*	0.50
H774	0.9667	0.2253	0.4843	0.087*	0.50
H775	1.0869	0.1674	0.4872	0.089*	0.50
H776	1.1396	0.1005	0.5522	0.083*	0.50
H752	1.0376	0.0388	0.7298	0.040*	0.50
H753	0.9920	−0.0299	0.7617	0.051*	0.50
H754	0.9847	−0.1025	0.7186	0.062*	0.50
H755	1.0231	−0.1064	0.6438	0.093*	0.50
H756	1.0688	−0.0377	0.6119	0.090*	0.50
H782	0.9561	0.0617	0.6155	0.063*	0.50
H783	0.9072	−0.0104	0.6216	0.086*	0.50
H784	0.9767	−0.1103	0.6474	0.062*	0.50
H785	1.0950	−0.1382	0.6671	0.093*	0.50
H786	1.1438	−0.0661	0.6610	0.090*	0.50
H762	1.2227	0.0577	0.6784	0.041*
H763	1.3418	0.0067	0.6668	0.060*
H764	1.3771	−0.0570	0.6096	0.061*
H765	1.2934	−0.0697	0.5639	0.061*
H766	1.1744	−0.0187	0.5755	0.059*
H81	0.5039	0.2622	0.8167	0.052*
H812	0.4585	0.2201	0.7486	0.051*
H813	0.5012	0.1465	0.6989	0.051*
H814	0.5393	0.0452	0.7274	0.056*
H815	0.5349	0.0174	0.8055	0.045*
H816	0.4922	0.0909	0.8553	0.040*
H822	0.3250	0.3246	0.8810	0.053*
H823	0.2027	0.3650	0.8773	0.071*
H824	0.1426	0.3222	0.8355	0.060*
H825	0.2048	0.2392	0.7975	0.060*
H826	0.3270	0.1988	0.8013	0.052*
H832	0.5690	0.1805	0.8992	0.050*
H833	0.6072	0.1340	0.9735	0.066*
H834	0.5279	0.1179	1.0245	0.060*
H835	0.4105	0.1483	1.0013	0.055*
H836	0.3723	0.1948	0.9271	0.044*
H82	0.4399	0.3636	0.8260	0.078*
H842	0.5574	0.3879	0.9134	0.083*	0.50
H843	0.6111	0.3204	0.9779	0.089*	0.50
H844	0.5482	0.2743	1.0221	0.078*	0.50
H845	0.4316	0.2956	1.0018	0.091*	0.50
H846	0.3778	0.3631	0.9373	0.072*	0.50
H872	0.5621	0.3411	0.8718	0.083*	0.50
H873	0.6325	0.2667	0.9280	0.089*	0.50
H874	0.5862	0.2492	0.9981	0.078*	0.50
H875	0.4695	0.3061	1.0121	0.091*	0.50
H876	0.3991	0.3805	0.9559	0.072*	0.50
H852	0.5542	0.4370	0.8460	0.050*
H853	0.6002	0.5109	0.8360	0.065*
H854	0.5276	0.6113	0.8398	0.072*
H855	0.4089	0.6378	0.8536	0.077*
H856	0.3629	0.5639	0.8636	0.054*
H862	0.2909	0.4492	0.8145	0.048*
H863	0.1710	0.4999	0.8232	0.061*
H864	0.1312	0.5488	0.8881	0.058*
H865	0.2113	0.5469	0.9443	0.062*
H866	0.3313	0.4962	0.9356	0.061*
H72A	0.9313	0.1508	0.6984	0.040*
H73	0.8278	0.1527	0.7285	0.036*
H75	0.7759	0.3271	0.7438	0.040*
H76	0.8829	0.3185	0.7151	0.046*
H82A	0.5587	0.3320	0.7635	0.040*
H83	0.6616	0.3292	0.7326	0.036*
H85	0.7581	0.1599	0.7932	0.040*
H86	0.6520	0.1686	0.8239	0.046*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si11	0.0310 (12)	0.0335 (12)	0.0438 (13)	−0.0118 (10)	0.0013 (10)	−0.0139 (10)
O11	0.036 (3)	0.038 (3)	0.070 (4)	−0.021 (3)	0.016 (3)	−0.025 (3)
Si12	0.0345 (11)	0.0287 (11)	0.0164 (10)	−0.0129 (9)	−0.0101 (8)	0.0005 (8)
O12	0.069 (4)	0.039 (3)	0.028 (3)	−0.011 (3)	−0.020 (3)	−0.014 (2)
Si21	0.0284 (11)	0.0295 (11)	0.0335 (12)	−0.0105 (9)	−0.0010 (9)	−0.0075 (9)
O21	0.030 (3)	0.044 (3)	0.049 (3)	−0.019 (3)	0.014 (3)	−0.019 (3)
Si22	0.0309 (11)	0.0270 (11)	0.0139 (9)	−0.0116 (9)	−0.0074 (8)	0.0027 (8)
O22	0.038 (3)	0.035 (3)	0.014 (2)	−0.007 (2)	−0.009 (2)	−0.006 (2)
Si31	0.0321 (12)	0.0297 (12)	0.0313 (12)	−0.0111 (10)	−0.0013 (9)	−0.0065 (9)
O31	0.038 (3)	0.035 (3)	0.047 (3)	−0.014 (3)	0.004 (3)	−0.009 (3)
Si32	0.0490 (13)	0.0264 (11)	0.0211 (11)	−0.0143 (10)	0.0067 (9)	−0.0039 (9)
O32	0.139 (6)	0.030 (3)	0.021 (3)	−0.017 (4)	−0.010 (3)	−0.007 (2)
Si41	0.0314 (12)	0.0300 (12)	0.0387 (13)	−0.0109 (10)	0.0061 (9)	−0.0115 (10)
O41	0.033 (3)	0.034 (3)	0.056 (4)	−0.015 (2)	0.014 (3)	−0.016 (3)
Si42	0.0340 (11)	0.0279 (11)	0.0193 (10)	−0.0094 (9)	−0.0043 (8)	−0.0021 (8)
O42	0.054 (4)	0.030 (3)	0.042 (3)	−0.013 (3)	−0.023 (3)	−0.009 (2)
Si51	0.0287 (11)	0.0351 (12)	0.0233 (11)	−0.0140 (10)	0.0040 (9)	0.0035 (9)
Si52	0.0419 (15)	0.0330 (14)	0.120 (3)	−0.0147 (12)	0.0311 (16)	0.0064 (16)
O52	0.101 (6)	0.042 (4)	0.071 (5)	0.011 (4)	0.059 (4)	0.021 (3)
Si61	0.0289 (11)	0.0274 (11)	0.0195 (10)	−0.0128 (9)	0.0025 (8)	0.0055 (8)
O61	0.037 (3)	0.032 (3)	0.030 (3)	−0.014 (2)	0.005 (2)	0.010 (2)
Si62	0.0315 (12)	0.0305 (12)	0.0554 (15)	−0.0116 (10)	0.0061 (11)	0.0039 (11)
O62	0.046 (3)	0.037 (3)	0.043 (3)	−0.017 (3)	0.019 (3)	0.005 (3)
Si71	0.0286 (11)	0.0339 (12)	0.0272 (11)	−0.0134 (10)	0.0064 (9)	0.0018 (9)
O71	0.032 (3)	0.027 (3)	0.045 (3)	−0.010 (2)	0.009 (2)	0.009 (2)
Si72	0.0329 (14)	0.0326 (14)	0.105 (2)	−0.0122 (11)	0.0188 (14)	0.0033 (14)
O72	0.092 (5)	0.032 (3)	0.084 (5)	0.000 (4)	0.057 (4)	0.009 (3)
Si81	0.0299 (11)	0.0312 (11)	0.0242 (11)	−0.0146 (9)	0.0074 (9)	0.0010 (9)
O81	0.036 (3)	0.024 (3)	0.041 (3)	−0.011 (2)	0.008 (2)	0.006 (2)
Si82	0.0281 (12)	0.0324 (13)	0.0743 (18)	−0.0119 (10)	0.0073 (12)	0.0033 (12)
O82	0.054 (4)	0.042 (3)	0.069 (4)	−0.031 (3)	0.026 (3)	−0.001 (3)

Bond lengths (Å)

Si11—O11	1.645 (5)	C463—H463	0.95
Si11—C131	1.894 (8)	C464—C465	1.39
Si11—C121	1.895 (4)	C464—H464	0.95
Si11—C111	1.895 (4)	C465—C466	1.39
Si11—C171	1.895 (7)	C465—H465	0.95
O11—H11	0.84	C466—H466	0.95
C121—C122	1.39	N41—C42	1.337 (9)
C121—C126	1.39	N41—C46	1.341 (9)
C122—C123	1.39	C42—C43	1.393 (9)
C122—H122	0.95	C42—H42A	0.95
C123—C124	1.39	C43—C44	1.394 (9)
C123—H123	0.95	C43—H43	0.95
C124—C125	1.39	C44—C45	1.388 (9)
C124—H124	0.95	C44—C44A	1.499 (9)
C125—C126	1.39	C45—C46	1.398 (9)
C125—H125	0.95	C45—H45	0.95
C126—H126	0.95	C46—H46	0.95
C111—C112	1.39	N41A—C42A	1.333 (9)
C111—C116	1.39	N41A—C46A	1.339 (9)
C112—C113	1.39	C42A—C43A	1.390 (9)
C112—H112	0.95	C42A—H42B	0.95
C113—C114	1.39	C43A—C44A	1.390 (9)
C113—H113	0.95	C43A—H43A	0.95
C114—C115	1.39	C44A—C45A	1.383 (9)
C114—H114	0.95	C45A—C46A	1.393 (9)
C115—C116	1.39	C45A—H45A	0.95
C115—H115	0.95	C46A—H46A	0.95
C116—H116	0.95	Si51—O51	1.646 (5)
C131—C132	1.39	Si51—C531	1.894 (3)
C131—C136	1.39	Si51—C521	1.895 (4)
C132—C133	1.39	Si51—C511	1.895 (3)
C132—H132	0.95	O51—H51	0.84
C133—C134	1.39	C511—C512	1.39
C133—H133	0.95	C511—C516	1.39
C134—C135	1.39	C512—C513	1.39
C134—H134	0.95	C512—H512	0.95
C135—C136	1.39	C513—C514	1.39
C135—H135	0.95	C513—H513	0.95
C136—H136	0.95	C514—C515	1.39
C171—C172	1.39	C514—H514	0.95
C171—C176	1.39	C515—C516	1.39
C172—C173	1.39	C515—H515	0.95
C172—H172	0.95	C516—H516	0.95
C173—C174	1.39	C521—C522	1.39
C173—H173	0.95	C521—C526	1.39
C174—C175	1.39	C522—C523	1.39
C174—H174	0.95	C522—H522	0.95
C175—C176	1.39	C523—C524	1.39
C175—H175	0.95	C523—H523	0.95
C176—H176	0.95	C524—C525	1.39
Si12—O12	1.644 (5)	C524—H524	0.95
Si12—C151	1.893 (9)	C525—C526	1.39
Si12—C181	1.894 (9)	C525—H525	0.95
Si12—C161	1.894 (4)	C526—H526	0.95
Si12—C141	1.895 (4)	C531—C532	1.39
O12—H12	0.84	C531—C536	1.39
C141—C142	1.39	C532—C533	1.39
C141—C146	1.39	C532—H532	0.95
C142—C143	1.39	C533—C534	1.39
C142—H142	0.95	C533—H533	0.95
C143—C144	1.39	C534—C535	1.39
C143—H143	0.95	C534—H534	0.95
C144—C145	1.39	C535—C536	1.39
C144—H144	0.95	C535—H535	0.95
C145—C146	1.39	C536—H536	0.95
C145—H145	0.95	Si52—O52	1.585 (8)
C146—H146	0.95	Si52—C541	1.894 (7)
C151—C152	1.39	Si52—C561	1.894 (4)
C151—C156	1.39	Si52—C551	1.894 (9)
C152—C153	1.39	Si52—C581	1.896 (9)
C152—H152	0.95	Si52—C571	1.897 (10)
C153—C154	1.39	O52—H52	0.84
C153—H153	0.95	C541—C542	1.39
C154—C155	1.39	C541—C546	1.39
C154—H154	0.95	C542—C543	1.39
C155—C156	1.39	C542—H542	0.95
C155—H155	0.95	C543—C544	1.39
C156—H156	0.95	C543—H543	0.95
C161—C162	1.39	C544—C545	1.39
C161—C166	1.39	C544—H544	0.95
C162—C163	1.39	C545—C546	1.39
C162—H162	0.95	C545—H545	0.95
C163—C164	1.39	C546—H546	0.95
C163—H163	0.95	C571—C572	1.39
C164—C165	1.39	C571—C576	1.39
C164—H164	0.95	C572—C573	1.39
C165—C166	1.39	C572—H572	0.95
C165—H165	0.95	C573—C574	1.39
C166—H166	0.95	C573—H573	0.95
C181—C182	1.39	C574—C575	1.39
C181—C186	1.39	C574—H574	0.95
C182—C183	1.39	C575—C576	1.39
C182—H182	0.95	C575—H575	0.95
C183—C184	1.39	C576—H576	0.95
C183—H183	0.95	C551—C552	1.39
C184—C185	1.39	C551—C556	1.39
C184—H184	0.95	C552—C553	1.39
C185—C186	1.39	C552—H552	0.95
C185—H185	0.95	C553—C554	1.39
C186—H186	0.95	C553—H553	0.95
N11—C12	1.335 (9)	C554—C555	1.39
N11—C16	1.348 (9)	C554—H554	0.95
C12—C13	1.396 (9)	C555—C556	1.39
C12—H12A	0.95	C555—H555	0.95
C13—C14	1.392 (9)	C556—H556	0.95
C13—H13	0.95	C581—C582	1.39
C14—C15	1.385 (9)	C581—C586	1.39
C14—C14A	1.497 (9)	C582—C583	1.39
C15—C16	1.396 (9)	C582—H582	0.95
C15—H15	0.95	C583—C584	1.39
C16—H16	0.95	C583—H583	0.95
N11A—C16A	1.323 (9)	C584—C585	1.39
N11A—C12A	1.335 (9)	C584—H584	0.95
C12A—C13A	1.394 (9)	C585—C586	1.39
C12A—H12B	0.95	C585—H585	0.95
C13A—C14A	1.395 (9)	C586—H586	0.95
C13A—H13A	0.95	C561—C562	1.39
C14A—C15A	1.378 (9)	C561—C566	1.39
C15A—C16A	1.388 (9)	C562—C563	1.39
C15A—H15A	0.95	C562—H562	0.95
C16A—H16A	0.95	C563—C564	1.39
Si21—O21	1.643 (5)	C563—H563	0.95
Si21—C271	1.894 (12)	C564—C565	1.39
Si21—C221	1.895 (4)	C564—H564	0.95
Si21—C211	1.895 (4)	C565—C566	1.39
Si21—C231	1.896 (4)	C565—H565	0.95
O21—H21	0.84	C566—H566	0.95
C211—C212	1.39	Si61—O61	1.642 (5)
C211—C216	1.39	Si61—C631	1.894 (3)
C212—C213	1.39	Si61—C621	1.894 (4)
C212—H212	0.95	Si61—C611	1.894 (4)
C213—C214	1.39	O61—H61	0.84
C213—H213	0.95	C611—C612	1.39
C214—C215	1.39	C611—C616	1.39
C214—H214	0.95	C612—C613	1.39
C215—C216	1.39	C612—H612	0.95
C215—H215	0.95	C613—C614	1.39
C216—H216	0.95	C613—H613	0.95
C221—C222	1.39	C614—C615	1.39
C221—C226	1.39	C614—H614	0.95
C222—C223	1.39	C615—C616	1.39
C222—H222	0.95	C615—H615	0.95
C223—C224	1.39	C616—H616	0.95
C223—H223	0.95	C621—C622	1.39
C224—C225	1.39	C621—C626	1.39
C224—H224	0.95	C622—C623	1.39
C225—C226	1.39	C622—H622	0.95
C225—H225	0.95	C623—C624	1.39
C226—H226	0.95	C623—H623	0.95
C231—C232	1.39	C624—C625	1.39
C231—C236	1.39	C624—H624	0.95
C232—C233	1.39	C625—C626	1.39
C232—H232	0.95	C625—H625	0.95
C233—C234	1.39	C626—H626	0.95
C233—H233	0.95	C631—C632	1.39
C234—C235	1.39	C631—C636	1.39
C234—H234	0.95	C632—C633	1.39
C235—C236	1.39	C632—H632	0.95
C235—H235	0.95	C633—C634	1.39
C236—H236	0.95	C633—H633	0.95
C271—C272	1.39	C634—C635	1.39
C271—C276	1.39	C634—H634	0.95
C272—C273	1.39	C635—C636	1.39
C272—H272	0.95	C635—H635	0.95
C273—C274	1.39	C636—H636	0.95
C273—H273	0.95	Si62—O62	1.606 (6)
C274—C275	1.39	Si62—C641	1.895 (5)
C274—H274	0.95	Si62—C651	1.895 (6)
C275—C276	1.39	Si62—C661	1.896 (4)
C275—H275	0.95	O62—H62	0.84
C276—H276	0.95	C641—C642	1.39
Si22—O22	1.666 (5)	C641—C646	1.39
Si22—C261	1.894 (4)	C642—C643	1.39
Si22—C241	1.894 (4)	C642—H642	0.95
Si22—C251	1.895 (11)	C643—C644	1.39
Si22—C281	1.893 (11)	C643—H643	0.95
O22—H22	0.84	C644—C645	1.39
C241—C242	1.39	C644—H644	0.95
C241—C246	1.39	C645—C646	1.39
C242—C243	1.39	C645—H645	0.95
C242—H242	0.95	C646—H646	0.95
C243—C244	1.39	C651—C652	1.39
C243—H243	0.95	C651—C656	1.39
C244—C245	1.39	C652—C653	1.39
C244—H244	0.95	C652—H652	0.95
C245—C246	1.39	C653—C654	1.39
C245—H245	0.95	C653—H653	0.95
C246—H246	0.95	C654—C655	1.39
C251—C252	1.39	C654—H654	0.95
C251—C256	1.39	C655—C656	1.39
C252—C253	1.39	C655—H655	0.95
C252—H252	0.95	C656—H656	0.95
C253—C254	1.39	C661—C662	1.39
C253—H253	0.95	C661—C666	1.39
C254—C255	1.39	C662—C663	1.39
C254—H254	0.95	C662—H662	0.95
C255—C256	1.39	C663—C664	1.39
C255—H255	0.95	C663—H663	0.95
C256—H256	0.95	C664—C665	1.39
C281—C282	1.39	C664—H664	0.95
C281—C286	1.39	C665—C666	1.39
C282—C283	1.39	C665—H665	0.95
C282—H282	0.95	C666—H666	0.95
C283—C284	1.39	N51—C56	1.316 (7)
C283—H283	0.95	N51—C52	1.344 (7)
C284—C285	1.39	C52—C53	1.381 (7)
C284—H284	0.95	C52—H52A	0.95
C285—C286	1.39	C53—C54	1.391 (7)
C285—H285	0.95	C53—H53	0.95
C286—H286	0.95	C54—C55	1.398 (7)
C261—C262	1.39	C54—C64	1.489 (7)
C261—C266	1.39	C55—C56	1.393 (7)
C262—C263	1.39	C55—H55	0.95
C262—H262	0.95	C56—H56	0.95
C263—C264	1.39	N61—C62	1.320 (7)
C263—H263	0.95	N61—C66	1.322 (7)
C264—C265	1.39	C62—C63	1.381 (7)
C264—H264	0.95	C62—H62A	0.95
C265—C266	1.39	C63—C64	1.371 (7)
C265—H265	0.95	C63—H63	0.95
C266—H266	0.95	C64—C65	1.390 (7)
N21—C22	1.334 (9)	C65—C66	1.385 (7)
N21—C26	1.343 (9)	C65—H65	0.95
C22—C23	1.395 (9)	C66—H66	0.95
C22—H22A	0.95	Si71—O71	1.638 (5)
C23—C24	1.398 (9)	Si71—C731	1.894 (3)
C23—H23	0.95	Si71—C721	1.895 (4)
C24—C25	1.391 (9)	Si71—C711	1.895 (4)
C24—C24A	1.499 (9)	O71—H71	0.84
C25—C26	1.396 (9)	C711—C712	1.39
C25—H25	0.95	C711—C716	1.39
C26—H26	0.95	C712—C713	1.39
N21A—C26A	1.326 (9)	C712—H712	0.95
N21A—C22A	1.339 (9)	C713—C714	1.39
C22A—C23A	1.397 (9)	C713—H713	0.95
C22A—H22B	0.95	C714—C715	1.39
C23A—C24A	1.401 (9)	C714—H714	0.95
C23A—H23A	0.95	C715—C716	1.39
C24A—C25A	1.388 (9)	C715—H715	0.95
C25A—C26A	1.395 (9)	C716—H716	0.95
C25A—H25A	0.95	C721—C722	1.39
C26A—H26A	0.95	C721—C726	1.39
Si31—O31	1.638 (5)	C722—C723	1.39
Si31—C331	1.894 (3)	C722—H722	0.95
Si31—C311	1.894 (4)	C723—C724	1.39
Si31—C321	1.895 (4)	C723—H723	0.95
O31—H31	0.84	C724—C725	1.39
C321—C322	1.39	C724—H724	0.95
C321—C326	1.39	C725—C726	1.39
C322—C323	1.39	C725—H725	0.95
C322—H322	0.95	C726—H726	0.95
C323—C324	1.39	C731—C732	1.39
C323—H323	0.95	C731—C736	1.39
C324—C325	1.39	C732—C733	1.39
C324—H324	0.95	C732—H732	0.95
C325—C326	1.39	C733—C734	1.39
C325—H325	0.95	C733—H733	0.95
C326—H326	0.95	C734—C735	1.39
C331—C332	1.39	C734—H734	0.95
C331—C336	1.39	C735—C736	1.39
C332—C333	1.39	C735—H735	0.95
C332—H332	0.95	C736—H736	0.95
C333—C334	1.39	Si72—O72	1.582 (7)
C333—H333	0.95	Si72—C741	1.893 (10)
C334—C335	1.39	Si72—C761	1.894 (4)
C334—H334	0.95	Si72—C751	1.896 (9)
C335—C336	1.39	Si72—C781	1.896 (6)
C335—H335	0.95	Si72—C771	1.896 (10)
C336—H336	0.95	O72—H72	0.84
C311—C312	1.39	C741—C742	1.39
C311—C316	1.39	C741—C746	1.39
C312—C313	1.39	C742—C743	1.39
C312—H312	0.95	C742—H742	0.95
C313—C314	1.39	C743—C744	1.39
C313—H313	0.95	C743—H743	0.95
C314—C315	1.39	C744—C745	1.39
C314—H314	0.95	C744—H744	0.95
C315—C316	1.39	C745—C746	1.39
C315—H315	0.95	C745—H745	0.95
C316—H316	0.95	C746—H746	0.95
Si32—O32	1.645 (5)	C771—C772	1.39
Si32—C351	1.895 (8)	C771—C776	1.39
Si32—C381	1.894 (14)	C772—C773	1.39
Si32—C361	1.895 (8)	C772—H772	0.95
Si32—C371	1.897 (12)	C773—C774	1.39
Si32—C341	1.896 (4)	C773—H773	0.95
O32—H32	0.84	C774—C775	1.39
C341—C342	1.39	C774—H774	0.95
C341—C346	1.39	C775—C776	1.39
C342—C343	1.39	C775—H775	0.95
C342—H342	0.95	C776—H776	0.95
C343—C344	1.39	C751—C752	1.39
C343—H343	0.95	C751—C756	1.39
C344—C345	1.39	C752—C753	1.39
C344—H344	0.95	C752—H752	0.95
C345—C346	1.39	C753—C754	1.39
C345—H345	0.95	C753—H753	0.95
C346—H346	0.95	C754—C755	1.39
C351—C352	1.39	C754—H754	0.95
C351—C356	1.39	C755—C756	1.39
C352—C353	1.39	C755—H755	0.95
C352—H352	0.95	C756—H756	0.95
C353—C354	1.39	C781—C782	1.39
C353—H353	0.95	C781—C786	1.39
C354—C355	1.39	C782—C783	1.39
C354—H354	0.95	C782—H782	0.95
C355—C356	1.39	C783—C784	1.39
C355—H355	0.95	C783—H783	0.95
C356—H356	0.95	C784—C785	1.39
C371—C372	1.39	C784—H784	0.95
C371—C376	1.39	C785—C786	1.39
C372—C373	1.39	C785—H785	0.95
C372—H372	0.95	C786—H786	0.95
C373—C374	1.39	C761—C762	1.39
C373—H373	0.95	C761—C766	1.39
C374—C375	1.39	C762—C763	1.39
C374—H374	0.95	C762—H762	0.95
C375—C376	1.39	C763—C764	1.39
C375—H375	0.95	C763—H763	0.95
C376—H376	0.95	C764—C765	1.39
C361—C362	1.39	C764—H764	0.95
C361—C366	1.39	C765—C766	1.39
C362—C363	1.39	C765—H765	0.95
C362—H362	0.95	C766—H766	0.95
C363—C364	1.39	Si81—O81	1.646 (5)
C363—H363	0.95	Si81—C811	1.894 (3)
C364—C365	1.39	Si81—C821	1.894 (4)
C364—H364	0.95	Si81—C831	1.895 (3)
C365—C366	1.39	O81—H81	0.84
C365—H365	0.95	C811—C812	1.39
C366—H366	0.95	C811—C816	1.39
C381—C382	1.39	C812—C813	1.39
C381—C386	1.39	C812—H812	0.95
C382—C383	1.39	C813—C814	1.39
C382—H382	0.95	C813—H813	0.95
C383—C384	1.39	C814—C815	1.39
C383—H383	0.95	C814—H814	0.95
C384—C385	1.39	C815—C816	1.39
C384—H384	0.95	C815—H815	0.95
C385—C386	1.39	C816—H816	0.95
C385—H385	0.95	C821—C822	1.39
C386—H386	0.95	C821—C826	1.39
N31—C32	1.326 (9)	C822—C823	1.39
N31—C36	1.335 (9)	C822—H822	0.95
C32—C33	1.390 (9)	C823—C824	1.39
C32—H32A	0.95	C823—H823	0.95
C33—C34	1.392 (9)	C824—C825	1.39
C33—H33	0.95	C824—H824	0.95
C34—C35	1.386 (9)	C825—C826	1.39
C34—C34A	1.498 (9)	C825—H825	0.95
C35—C36	1.393 (9)	C826—H826	0.95
C35—H35	0.95	C831—C832	1.39
C36—H36	0.95	C831—C836	1.39
N31A—C32A	1.334 (9)	C832—C833	1.39
N31A—C36A	1.336 (9)	C832—H832	0.95
C32A—C33A	1.398 (9)	C833—C834	1.39
C32A—H32B	0.95	C833—H833	0.95
C33A—C34A	1.394 (9)	C834—C835	1.39
C33A—H33A	0.95	C834—H834	0.95
C34A—C35A	1.393 (9)	C835—C836	1.39
C35A—C36A	1.392 (9)	C835—H835	0.95
C35A—H35A	0.95	C836—H836	0.95
C36A—H36A	0.95	Si82—O82	1.600 (6)
Si41—O41	1.649 (5)	Si82—C871	1.895 (8)
Si41—C421	1.895 (4)	Si82—C851	1.894 (5)
Si41—C411	1.895 (4)	Si82—C861	1.895 (4)
Si41—C431	1.895 (3)	Si82—C841	1.896 (10)
O41—H41	0.84	O82—H82	0.84
C411—C412	1.39	C841—C842	1.39
C411—C416	1.39	C841—C846	1.39
C412—C413	1.39	C842—C843	1.39
C412—H412	0.95	C842—H842	0.95
C413—C414	1.39	C843—C844	1.39
C413—H413	0.95	C843—H843	0.95
C414—C415	1.39	C844—C845	1.39
C414—H414	0.95	C844—H844	0.95
C415—C416	1.39	C845—C846	1.39
C415—H415	0.95	C845—H845	0.95
C416—H416	0.95	C846—H846	0.95
C421—C422	1.39	C871—C872	1.39
C421—C426	1.39	C871—C876	1.39
C422—C423	1.39	C872—C873	1.39
C422—H422	0.95	C872—H872	0.95
C423—C424	1.39	C873—C874	1.39
C423—H423	0.95	C873—H873	0.95
C424—C425	1.39	C874—C875	1.39
C424—H424	0.95	C874—H874	0.95
C425—C426	1.39	C875—C876	1.39
C425—H425	0.95	C875—H875	0.95
C426—H426	0.95	C876—H876	0.95
C431—C432	1.39	C851—C852	1.39
C431—C436	1.39	C851—C856	1.39
C432—C433	1.39	C852—C853	1.39
C432—H432	0.95	C852—H852	0.95
C433—C434	1.39	C853—C854	1.39
C433—H433	0.95	C853—H853	0.95
C434—C435	1.39	C854—C855	1.39
C434—H434	0.95	C854—H854	0.95
C435—C436	1.39	C855—C856	1.39
C435—H435	0.95	C855—H855	0.95
C436—H436	0.95	C856—H856	0.95
Si42—O42	1.654 (5)	C861—C862	1.39
Si42—C451	1.894 (5)	C861—C866	1.39
Si42—C441	1.894 (4)	C862—C863	1.39
Si42—C461	1.895 (4)	C862—H862	0.95
O42—H42	0.84	C863—C864	1.39
C441—C442	1.39	C863—H863	0.95
C441—C446	1.39	C864—C865	1.39
C442—C443	1.39	C864—H864	0.95
C442—H442	0.95	C865—C866	1.39
C443—C444	1.39	C865—H865	0.95
C443—H443	0.95	C866—H866	0.95
C444—C445	1.39	N71—C76	1.327 (6)
C444—H444	0.95	N71—C72	1.329 (6)
C445—C446	1.39	C72—C73	1.380 (7)
C445—H445	0.95	C72—H72A	0.95
C446—H446	0.95	C73—C74	1.391 (6)
C451—C452	1.39	C73—H73	0.95
C451—C456	1.39	C74—C75	1.385 (6)
C452—C453	1.39	C74—C84	1.499 (6)
C452—H452	0.95	C75—C76	1.386 (7)
C453—C454	1.39	C75—H75	0.95
C453—H453	0.95	C76—H76	0.95
C454—C455	1.39	N81—C82	1.320 (6)
C454—H454	0.95	N81—C86	1.342 (6)
C455—C456	1.39	C82—C83	1.372 (7)
C455—H455	0.95	C82—H82A	0.95
C456—H456	0.95	C83—C84	1.372 (6)
C461—C462	1.39	C83—H83	0.95
C461—C466	1.39	C84—C85	1.384 (6)
C462—C463	1.39	C85—C86	1.383 (7)
C462—H462	0.95	C85—H85	0.95
C463—C464	1.39	C86—H86	0.95

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O11—H11···N11	0.84	1.94	2.731 (13)	157
O11—H11···N11A^i	0.84	1.91	2.68 (2)	153
O12—H12···O11	0.84	1.91	2.696 (7)	155
O21—H21···N21	0.84	1.91	2.699 (14)	157
O21—H21···N21A^ii	0.84	1.89	2.72 (12)	170
O22—H22···O21	0.84	1.93	2.759 (7)	168
O31—H31···N31	0.84	1.88	2.67 (2)	156
O31—H31···N31A^iii	0.84	1.97	2.73 (2)	150
O32—H32···O31	0.84	1.90	2.697 (7)	159
O41—H41···N41	0.84	1.92	2.70 (2)	155
O41—H41···N41A^iv	0.84	1.94	2.73 (2)	158
O42—H42···O41	0.84	1.88	2.700 (7)	165
O51—H51···N51	0.84	1.93	2.720 (7)	157
O52—H52···O51	0.84	1.92	2.731 (8)	162
O61—H61···N61	0.84	1.91	2.711 (7)	158
O62—H62···O61	0.84	1.90	2.708 (7)	161
O71—H71···N71	0.84	1.91	2.695 (7)	156
O72—H72···O71	0.84	1.92	2.731 (7)	162
O81—H81···N81	0.84	1.91	2.725 (7)	162
O82—H82···O81	0.84	1.96	2.783 (7)	167

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