Hydrogen-bonded adducts of tri­phenylsilanol with di­amines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H⋯O, O—H⋯N and C—H⋯π(arene) hydrogen bonds

The structures of five hydrogen-bonded adducts of triphenylsilanol, Ph₃SiOH, with diamines have been determined. In the 4:1 adduct formed with 1,4-diazabicyclo[2.2.2]octane, (Ph₃SiOH)₄·C₆H₁₂N₂ (I) (triclinic, P, Z′ = 2), there are two independent five-component aggregates built from O—H⋯N and O—H⋯O hydrogen bonds, in one of which the diamine exhibits orientational disorder: these two aggregates are linked into a cyclic ten-molecule unit by means of two independent C—H⋯π(arene) hydrogen bonds. The 4:1 adduct formed with 1,2-bis(4-pyridyl)ethene, (Ph₃SiOH)₄·C₁₂H₁₀N₂ (II) (triclinic, P, Z′ = 0.5), forms a similar five-component aggregate which lies across a centre of inversion: a single C—H⋯π(arene) hydrogen bond links these aggregates into a molecular ladder. With N,N′-dimethylpiperazine, triphenylsilanol forms a 2:1 adduct, (Ph₃SiOH)₂·C₆H₁₄N₂ (III) (monoclinic, P2₁/c, Z′ = 0.5), in which a three-component aggregate built from O—H⋯N hydrogen bonds lies across a centre of inversion: two independent C—H⋯π(arene) hydrogen bonds link these aggregates into sheets. In the hydrated 2:1 adduct formed with 1,2-bis(4′-bipyridyl)ethane, (Ph₃SiOH)₂·C₁₂H₁₂N₂·H₂O (IV) (triclinic, P, Z′ = 1), a combination of two independent O—H⋯O and two independent N—H⋯O hydrogen bonds links the five molecular components into a centrosymmetric eight-molecule aggregate, and six independent C—H⋯π(arene) hydrogen bonds link these chains into a continuous three-dimensional framework structure. In the dihydrated 2:1 adduct formed with 4,4′-bipyridyl, (Ph₃SiOH)₂·C₁₀H₈N₂·(H₂O)₂ (V) (triclinic, P, Z′ = 1), a combination of four independent O—H⋯O and two independent N—H⋯O hydrogen bonds links the five molecular components into a chain of rings, and four independent C—H⋯π(arene) hydrogen bonds link these chains into a continuous three-dimensional framework structure.

1. Introduction

We have recently observed that co-crystallization, from methanol solutions, of mixtures of triphenylsilanol, Ph₃SiOH [A, see Scheme (I)], and 4,4′-bipyridyl, NC₅H₄–C₅H₄N (B), gave a 1:1 adduct Ph₃SiOH·C₁₀H₈N₂, in which the two molecular components are linked by an O—H⋯N hydrogen bond, and a 4:1 adduct (Ph₃SiOH)₄·C₁₀H₈N₂ (Bowes et al., 2003). In the 4:1 adduct, two triphenylsilanol molecules are linked to the 4,4′-bipyridyl via O—H⋯N hydrogen bonds and two further triphenylsilanol molecules are linked to the first pair via O—H⋯O hydrogen bonds. However, it did not prove possible to isolate or identify the expected 2:1 adduct, (Ph₃SiOH)₂·C₁₀H₈N₂, containing O—H⋯N but not O—H⋯O hydrogen bonds. Moreover, three different polymorphs of the 4:1 adduct were characterized, all in the triclinic space group P and having Z′ values of 0.5, 1 and 4, respectively. These polymorphs, which are at least pairwise concomitant, all exhibit considerable disorder, even at 150 K, particularly involving the orientation of the phenyl rings. By contrast, the 1:1 adduct has a fully ordered structure in which the bimolecular aggregates generated by the O—H⋯N hydrogen bond are linked into a continuous three-dimensional framework structure by no fewer than four different C—H⋯π(arene) hydrogen bonds involving both phenyl and pyridyl rings as acceptors.

Intrigued by the crystallization behaviour of this system, giving 1:1 and 4:1 adducts but no 2:1 adduct, as well as by the polymorphism of the 4:1 adduct, we have now investigated the co-crystallization of a range of mixtures containing triphenylsilanol and other diamines, including 1,2-bis(4-pyridyl)­ethene (C), 1,2-bis(4-pyridyl)ethane (D), 1,4-diazabicyclo[2.2.2]octane (DABCO, E), N,N′-dimethylpiperazine (F), piperazine (G) and hexamethylenetetramine (H).

In the cases of diamines (C) and (E), methanol solutions containing triphenylsilanol and the diamine in molar ratios of 1:1, 2:1 or 4:1 (triphenylsilanol:diamine in all cases) uniformly yielded the 4:1 adducts (I) and (II) only as the sole crystalline products. In contrast, diamine (F) produced only the 2:1 adduct (III), whereas diamine (D) produces the monohydrated 2:1 adduct (IV). Use of the amines (G) and (H) consistently failed to produce any crystalline adducts and triphenylsilanol was the only solid product isolated from crystallizations involving these amines. In addition, we have now isolated and characterized a further product in the triphenylsilanol–4,4′-bipyridyl system, namely the hydrated 2:1 adduct (Ph₃SiOH)₂·C₁₀H₈N₂·(H₂O)₂ (V).

2. Experimental

2.1. Synthesis

For each of compounds (I)–(IV), stoichiometric quantities of triphenylsilanol and the diamines (E), (C), (F) or (D), respectively, equivalent to 1:1, 2:1 and 4:1 molar ratios in each case, were separately dissolved in dry methanol. The corresponding solutions were mixed and set aside to crystallize, consistently providing samples of (I)–(IV). Analyses: found for (I), C 76.9, H 6.5, N 2.2%; C₇₈H₇₆N₂O₄Si₄ requires C 76.9, H 6.3, N 2.3%; found for (II), C 78.6, H 5.4, N 2.1%; C₈₄H₇₄N₂O₄Si₄ requires C 78.3, H 5.8, N 2.2%; found for (III), C 76.2, H 6.9, N 3.9%; C₄₂H₄₆N₂O₂Si₂ requires C 75.6, H 7.0, N 4.2%; found for (IV) C 75.8, H 6.0, N 3.3%; C₄₈H₄₆N₂O₃Si₂ requires C 76.3, H 6.1, N 3.7%. For (V) equimolar quantities of triphenylsilanol and 4,4′-bipyridyl were employed in a similar co-crystallization. Analysis for (V): found C 75.3, H 5.7, N 3.7%; C₄₆H₄₄N₂O₄Si₂ requires C 74.2, H 6.0, N 3.8%. When piperazine (G) or hexamethylenetetramine (H) were employed in similar co-crystallization experiments, the crystallized products were consistently found to be pure triphenylsilanol. Crystals of (I)–(V) suitable for single-crystal X-ray diffraction were selected directly from the analytical samples.

2.2. Data collection, structure solution and refinement

Diffraction data for (I)–(V) were collected at 150 (1) K using a Nonius Kappa-CCD diffractometer with graphite-monochromated Mo Kα radiation (λ = 0.71073 Å). Other details of cell data, data collection and refinement are summarized in Table 1, together with details of the software employed. Compounds (I), (II), (IV) and (V) are all triclinic, and for each of them the space group P was selected and confirmed by the successful structure analyses: for (III) the space group P2₁/c was uniquely assigned from the systematic absences. The structures were solved by direct methods and refined with all data on F². A weighting scheme based upon P = [F_o² + 2F_c²]/3 was employed in order to reduce statistical bias (Wilson, 1976). All H atoms were located from difference maps and all were fully ordered. Those bonded to water O atoms were placed at positions located from the difference maps and treated as riding atoms with an O—H distance of 0.99 Å, as deduced from the difference maps; all other H atoms were treated as riding atoms with distances C—H 0.95 Å and hydroxy O—H 0.84 Å. In (I) one of the DABCO components, that containing N21 and N22, is disordered over two sets of sites, with refined occupancies of 0.798 (3) and 0.202 (3), where the two set of sites have essentially identical N positions but the —CH₂—CH₂— bridges in the two orientations are effectively rotated by ca 60° about the N⋯N vector: the C and N atoms of the minor component were refined isotropically.

Table 1
Experimental details

	(I)	(II)	(III)	(IV)	(V)
Crystal data
Chemical formula	C6H12N2·-4C18H16OSi	2C18H16OSi·-0.5C12H10N2	C18H16OSi·-0.5C6H14N2	2C18H16OSi·-C12H12N2·H2O	2C18H16OSi·C10H8N2·2H2O
Mr	1217.77	643.91	333.49	755.05	745.01
Cell setting, space group	Triclinic, P	Triclinic, P	Monoclinic, P21/c	Triclinic, P	Triclinic, P
a, b, c (Å)	15.2124 (5), 18.9580 (4), 23.3561 (7)	8.6418 (2), 14.1263 (3), 16.3149 (4)	14.6528 (10), 8.1361 (4), 16.7852 (10)	8.7793 (4), 14.3503 (7), 16.8948 (6)	8.9058 (4), 13.9098 (8), 16.9083 (8)
α, β, γ (°)	86.713 (2), 85.727 (2), 81.563 (2)	64.5048 (10), 84.1339 (10), 79.7744 (13)	90.00, 117.868 (4), 90.00	76.612 (2), 88.287 (2), 83.816 (2)	75.053 (3), 88.509 (3), 86.951 (3)
V (Å^3)	6637.0 (3)	1768.42 (7)	1769.00 (18)	2058.58 (16)	2020.67 (18)
Z	4	2	4	2	2
Dx (Mg m^−3)	1.219	1.209	1.252	1.218	1.224
Radiation type	Mo Kα	Mo Kα	Mo Kα	Mo Kα	Mo Kα
No. of reflections for cell parameters	30 027	8105	3291	9333	7517
θ range (°)	2.6–27.5	2.6–27.5	2.8–25.5	2.6–27.5	2.6–25.5
μ (mm^−1)	0.14	0.14	0.14	0.13	0.13
Temperature (K)	150 (1)	150 (1)	150 (1)	150 (1)	150 (1)
Crystal form, colour	Block, colourless	Needle, colourless	Plate, colourless	Needle, colourless	Block, colourless
Crystal size (mm)	0.34 × 0.32 × 0.12	0.30 × 0.28 × 0.25	0.44 × 0.30 × 0.04	0.20 × 0.12 × 0.04	0.24 × 0.17 × 0.10
Data collection
Diffractometer	Kappa-CCD	Kappa-CCD	Kappa-CCD	Kappa-CCD	Kappa-CCD
Data collection method	φ scans, and ω scans with κ offsets	φ scans, and ω scans with κ offsets	φ scans, and ω scans with κ offsets	φ scans, and ω scans with κ offsets	φ scans, and ω scans with κ offsets
Absorption correction	Multi-scan	Multi-scan	None	None	None
Tmin	0.972	0.914	–	–	–
Tmax	0.986	0.967	–	–	–
No. of measured, independent and observed reflections	58 413, 30 027, 13 026	23 113, 8105, 6126	15 411, 3291, 2276	21 083, 9333, 5498	21 774, 7517, 4671
Criterion for observed reflections	I > 2σ(I)	I > 2σ(I)	I > 2σ(I)	I > 2σ(I)	I > 2σ(I)
Rint	0.093	0.051	0.099	0.074	0.078
θmax (°)	27.5	27.5	25.5	27.5	25.5
Range of h, k, l	−19 → h → 19	−11 → h → 11	−17 → h → 17	−11 → h → 11	−10 → h → 10
	−24 → k → 24	−18 → k → 18	−9 → k → 9	−17 → k → 18	−16 → k → 16
	−29 → l → 30	−20 → l → 21	−20 → l → 20	−20 → l → 21	−20 → l → 20
Refinement
Refinement on	F^2	F^2	F^2	F^2	F^2
R[F^2 > 2σ(F^2)], wR(F^2), S	0.073, 0.225, 0.96	0.041, 0.109, 1.02	0.047, 0.133, 1.03	0.059, 0.155, 1.02	0.052, 0.131, 1.01
No. of reflections	30 027	8105	3291	9333	7517
No. of parameters	1331	427	237	499	490
H-atom treatment	Constrained to parent site	Constrained to parent site	Constrained to parent site	Constrained to parent site	Constrained to parent site
Weighting scheme	w = 1/[σ^2(Fo^2) + (0.1027P)^2], where P = (Fo^2 + 2Fc^2)/3	w = 1/[σ^2(Fo^2) + (0.0408P)^2 + 0.511P], where P = (Fo^2 + 2Fc^2)/3	w = 1/[σ^2(Fo^2) + (0.0714P)^2], where P = (Fo^2 + 2Fc^2)/3	w = 1/[σ^2(Fo^2) + (0.0609P)^2 + 0.2885P], where P = (Fo^2 + 2Fc^2)/3	w = 1/[σ^2(Fo^2) + (0.0493P)^2 + 0.384P], where P = (Fo^2 + 2Fc^2)/3
(Δ/σ)max	0.001	0.001	0.004	0.001	0.001
Δρmax, Δρmin (e Å^−3)	0.56, −0.47	0.23, −0.31	0.24, −0.40	0.62, −0.33	0.60, −0.46
Extinction method	None	SHELXL	SHELXL	SHELXL	SHELXL
Extinction coefficient	–	0.0085 (14)	0.011 (3)	0.0072 (12)	0.0037 (7)
Computer programs: Kappa-CCD server software (Nonius, 1997), DENZO-SMN (Otwinowski & Minor, 1997), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), PLATON (Spek, 2003), PRPKAPPA (Ferguson, 1999), WINGX (Farrugia, 1999).

Supramolecular analyses were made and the diagrams were prepared with the aid of PLATON (Spek, 2003). Details of selected molecular dimensions and hydrogen-bond dimensions are given in Tables 2 and 3.¹ Figs. 1–14 show the molecular components, with the atom-labelling schemes, and aspects of the supramolecular structures.

Table 2
Selected geometric parameters (Å, °)

(a) Si—O distances
(I)
Si1—O1	1.637 (2)	Si2—O2	1.631 (2)
Si3—O3	1.634 (2)	Si4—O4	1.633 (2)
(II)
Si1—O1	1.636 (2)	Si2—O2	1.627 (2)
(III)
Si1—O1	1.624 (2)
(IV)
Si1—O1	1.633 (2)	Si2—O2	1.630 (2)
(V)
Si1—O1	1.640 (2)	Si2—O2	1.634 (2)
(b) Torsional and dihedral angles
(I)
O1—Si1—C111—C112	−83.6 (2)	O2—Si2—C211—C212	−63.4 (2)
O1—Si1—C121—C122	18.6 (2)	O2—Si2—C221—C222	−18.4 (2)
O1—Si1—C131—C132	0.6 (2)	O2—Si2—C231—C232	−7.4 (2)
O3—Si3—C311—C312	59.5 (2)	O4—Si4—C411—C412	56.0 (2)
O3—Si3—C321—C322	7.7 (2)	O4—Si4—C421—C422	57.9 (2)
O3—Si3—C331—C332	61.1 (2)	O4—Si4—C431—C432	10.6 (2)
N11—C11—C12—N12	−9.1 (4)
N11—C13—C14—N12	−8.9 (4)
N11—C15—C16—N12	−9.4 (4)
N21—C21—C22—N22	3.7 (7)	N31—C31—C32—N32	−5 (2)
N21—C23—C24—N22	2.9 (6)	N31—C33—C34—N32	−2 (2)
N21—C25—C26—N22	2.2 (6)	N31—C35—C36—N32	−2 (2)
(II)
O1—Si1—C11—C12	−43.5 (2)	O2—Si2—C41—C42	−5.8 (2)
O1—Si1—C21—C22	−39.6 (2)	O2—Si2—C51—C52	−75.6 (2)
O1—Si1—C31—C32	−33.6 (2)	O2—Si2—C61—C62	17.2 (2)
(N1—C6)^(C4—C7—C7^i—C4^i)	10.0 (2)
(III)
O1—Si1—C11—C12	−46.8 (2)
O1—Si1—C21—C22	−42.9 (2)
O1—Si1—C31—C32	−24.1 (2)
(IV)
O1—Si1—C111—C112	7.9 (2)	O2—Si2—C211—C212	−47.2 (2)
O1—Si1—C121—C122	−0.8 (2)	O2—Si2—C221—C222	−66.2 (2)
O1—Si1—C131—C132	56.6 (2)	O2—Si2—C231—C232	−43.2 (2)
C13—C14—C17—C27	−154.8 (3)	C14—C17—C27—C24	169.3 (3)
C23—C24—C27—C17	−119.6 (3)
(V)
O1—Si1—C111—C112	−60.9 (2)	O2—Si2—C211—C212	−4.7 (2)
O1—Si1—C121—C122	−61.5 (2)	O2—Si2—C221—C222	10.9 (2)
O1—Si1—C131—C132	−40.6 (2)	O2—Si2—C231—C232	−59.6 (2)
(N1—C16)^(N2—C26)	35.3 (2)
Symmetry code: (i) 1 - x, 1 - y, 1 - z.

Table 3
Hydrogen-bond parameters (Å, °)

D—H⋯A	H⋯A	D⋯A	D—H⋯A
(I)
O1—H1⋯N11	1.82	2.642 (3)	165
O2—H2⋯O1	2.01	2.727 (3)	143
O3—H3⋯N12	1.82	2.642 (3)	164
O4—H4⋯O3	1.95	2.729 (3)	153
O5—H5⋯N21	1.80	2.620 (6)	164
O6—H6⋯O5	2.00	2.736 (3)	146
O7—H7⋯N22	1.81	2.633 (7)	164
O8—H8⋯O7	1.96	2.701 (3)	146
C134—H134⋯Cg1^a,i	2.79	3.576 (3)	141
C724—H724⋯Cg2^b,ii	2.68	3.536 (3)	150
(II)
O1—H1⋯N1	1.85	2.653 (2)	159
O2—H2⋯O1	1.98	2.691 (2)	142
C33—H33⋯Cg3^c,ii	2.69	3.635 (2)	173
(III)
O1—H1⋯N1	1.92	2.721 (2)	159
C13—H13⋯Cg3^c,iii	2.94	3.821 (3)	154
C23—H23⋯Cg3^c,iv	2.93	3.746 (3)	145
(IV)
O1—H1⋯O3^v	1.85	2.641 (3)	161
O2—H2⋯N2	1.96	2.753 (3)	163
O3—H31⋯O1	1.90	2.801 (2)	167
O3—H32⋯N1	1.88	2.791 (3)	170
C16—H16⋯Cg4^d,vi	2.91	3.782 (3)	153
C23—H23⋯Cg5^e,vii	2.75	3.440 (3)	130
C115—H115⋯Cg6^f,viii	2.94	3.757 (3)	145
C214—H214⋯Cg7^g,ix	2.75	3.621 (3)	152
C224—H224⋯Cg8^h,x	2.81	3.622 (3)	144
C235—H235⋯Cg5^e,xi	2.77	3.603 (3)	147
(V)
O1—H1⋯O11	1.84	2.660 (3)	164
O2—H2⋯O21	1.85	2.640 (3)	156
O11—H11A⋯N1	1.83	2.817 (3)	175
O11—H11B⋯O1^xii	1.86	2.817 (3)	162
O21—H21A⋯N2	1.75	2.730 (4)	170
O21—H21B⋯O2^xiii	1.81	2.678 (3)	144
C114—H114⋯Cg4^d,xiv	2.87	3.717 (3)	148
C124—H124⋯Cg5^e,xv	2.82	3.635 (3)	145
C135—H135⋯Cg8^h,xvi	2.82	3.660 (3)	148
C215—H215⋯Cg9^j,xvii	2.83	3.659 (3)	147
Footnotes: (a) Cg1 is the centroid of the ring C621–C626; (b) Cg2 is the centroid of the ring C411–C416; (c) Cg3 is the centroid of the ring C21–C26; (d) Cg4 is the centroid of the ring C221–C226; (e) Cg5 is the centroid of the ring C211–C216; (f) Cg6 is the centroid of the ring C131–C136; (g) Cg7 is the centroid of the ring C121–C126; (h) Cg8 is the centroid of the ring C111–C116; (j) Cg9 is the centroid of the ring C231–C236; Symmetry codes: (i) x, 1 + y, z; (ii) -1 + x, y, z; (iii) x, -1 + y, z; (iv) ; (v) 1 - x, 1 - y, 1 - z; (vi) 3 -x, 1 - y, 2 - z; (vii) -1 + x, y, z; (viii) 1 - x, -y, 1 - z; (ix) 2 + x, y, z; (x) 2 + x, y, 1 + z; (xi) 4 - x, -y, 2 - z; (xii) 3 - x, -y, 1 - z; (xiii) -x, -y, -z; (xiv) 2 - x, -y, -z; (xv) 2 - x, -y, 1 - z; (xvi) 3 - x, -1 - y, 1 - z; (xvii) -x, 1 - y, -z.

Figure 1 The two independent five-component aggregates in (I), showing the atom-labelling scheme: (a) aggregate 1 containing a fully ordered DABCO unit; (b) aggregate 2 containing a disordered DABCO unit (see text). Displacement ellipsoids are drawn at the 30% probability level and the H atoms bonded to C atoms are omitted for the sake of clarity.

Figure 2 Part of the crystal structure of (I) showing the formation of a ten-molecule aggregate. For the sake of clarity, the H atoms bonded to C atoms and the unit-cell box are omitted.

Figure 3 The five-component aggregate in (II), showing the atom-labelling scheme: the atom marked `a' is at the symmetry position (1 - x, 1 - y, 1 - z). Displacement ellipsoids are drawn at the 10% probability level and the H atoms bonded to the C atoms are omitted for the sake of clarity.

Figure 4 Part of the crystal structure of (II) showing the formation of a molecular ladder along [100]. For the sake of clarity, the outer triphenylsilanol molecules (containing Si2) and the H atoms bonded to C atoms are omitted. The atoms marked with an asterisk (*), a hash (#) or a dollar sign ($) are at the symmetry positions (1 - x, 1 - y, 1 - z), (-1 + x, y, z) and (1 + x, y, z), respectively.

Figure 5 The three-component aggregate in (III) showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level and the atoms marked `a' are at the symmetry position (1 - x, 1 - y, 1 - z).

Figure 6 Part of the crystal structure of (III) showing the formation of a molecular ladder along [010]. For the sake of clarity the H atoms bonded to C atoms, but not involved in the hydrogen-bond motif shown, are omitted. The atoms marked with an asterisk (*), a hash (#) or a dollar sign ($) are at the symmetry positions (1 - x, 1 - y, 1 - z), (x, -1 + y, z) and (x, 1 + y, z), respectively.

Figure 7 Stereoview of part of the crystal structure of (III) showing the formation of a (10) sheet. For the sake of clarity the H atoms bonded to C atoms, but not involved in the hydrogen-bond motif shown, are omitted.

Figure 8 The eight-component aggregate in (IV) showing the atom-labelling scheme; phenyl C atoms are omitted except for those bonded to Si. Displacement ellipsoids are drawn at the 30% probability level and the atoms marked with an asterisk (*) are at the equivalent position (1-x, 1-y, 1-z). Only the H atoms involved in hydrogen bonding are shown.

Figure 9 Stereoview of part of the crystal structure of (IV) showing the formation of a chain of rings along [010]. For the sake of clarity the H atoms bonded to C atoms, but not involved in the hydrogen-bond motif shown, are omitted.

Figure 10 Part of the crystal structure of (IV), showing the formation of a chain of rings along [201]. For the sake of clarity the H atoms bonded to C atoms, but not involved in the hydrogen-bond motif shown, are omitted.

Figure 11 Part of the crystal structure of (IV) showing the formation of a molecular ladder along [100]. For the sake of clarity the H atoms bonded to C atoms, but not involved in the hydrogen-bond motif shown, are omitted.

Figure 12 The independent molecular components in (V), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.

Figure 13 Part of the crystal structure of (V) showing the formation of a [301] chain generated by the hard hydrogen bonds. For the sake of clarity the unit-cell box is omitted. The atoms marked with an asterisk (*) or a hash (#) are at the symmetry positions (3 - x, -y, 1 - z) and (-x, -y, -z), respectively.

Figure 14 Part of the crystal structure of (V) showing a representative example of a chain of rings generated by O—H⋯O and C—H⋯π(arene) hydrogen bonds, in this case running parallel to [010]. The atoms marked with an asterisk (*) or a hash (#) are at the symmetry positions (-x, 1 - y, -z) and (x, 1 + y, z), respectively.

3. Results and discussion

3.1. Crystallization characteristics

For each of the amines (C) and (E) [see Scheme (I)], co-crystallization with triphenylsilanol from solution in dry methanol containing molar ratios of triphenylsilanol-to-amine of 1:1, 2:1 or 4:1 consistently provided pure samples of the 4:1 adducts (II) and(I), respectively. Similar mixtures of triphenylsilanol with the amines (B) and (F) consistently yielded the mono-hydrated 2:1 adduct (IV) and the solvent-free 2:1 adduct (III), respectively. This behaviour may be contrasted with that of mixtures of triphenylsilanol with (B), again in dry methanol, where a 1:1 molar ratio yielded a 1:1 adduct, but where both 2:1 and 4:1 molar ratios gave concomitant polymorphs of the 4:1 adduct (Bowes et al., 2003): presumably in the formation of (IV), the water has an atmospheric origin. However, when deliberately damp methanol was employed as the solvent for an equimolar mixture of triphenylsilanol with (B), the product was not the expected 1:1 adduct, but instead the hydrated 2:1 adduct (V). All attempts to obtain adducts of triphenylsilanol with the amines (G) and (H) have so far been unsuccessful.

It is notable that in (I) and (II), the 4:1 aggregates formed by the hard hydrogen bonds have all of their triphenylsilanol components fully ordered. This is in marked contrast to the various polymorphs of the 4:1 adduct formed between triphenylsilanol and 4,4′-bipyridyl, where there is very extensive orientational disorder of the phenyl groups, even at 150 K (Bowes et al., 2003). In triphenylsilanol itself, the phenyl disorder is modest at low temperatures, but intractable at ambient temperatures (Bowes et al., 2002).

By contrast with the reactions involving triphenylsilanol and the amines (B)–(F), these amines with triphenylmethanol, Ph₃COH, in methanol solutions consistently gave pure triphenylmethanol as the sole crystalline product, regardless of whether the input molar ratio of triphenylmethanol to amine was 1:1, 2:1 or 4:1.

3.2. Dimensions and conformations

The independent Si—O distances in (I)–(V) (Table 2) span the rather narrow range 1.624 (2)–1.640 (2) Å and no individual value is markedly different from the values (Bowes et al., 2002, 2003) in tetrameric triphenylsilanol itself or in its 4:1 adduct with 1,4-dioxan, mean values 1.645 (6) and 1.639 (2) Å, respectively; in the Z′ = 0.5 and Z′ = 1 polymorphs of the 4:1 adduct of triphenylsilanol with 4,4′-bipyridyl, mean values 1.633 (4) and 1.634 (7) Å, respectively; or in the 1:1 adduct formed with 4,4′-bipyridyl, 1.629 (2), and in the 2:1 adduct formed with dimethylsulfoxide, 1.636 (2) Å.

The highest possible symmetry for the non-H atoms in a triphenylsilanol molecule is C_3v (3m) and there are two conformations, defined by O—Si—C—C torsional angles of zero or 90°, respectively, which have this symmetry. In the event, the inner triphenylsilanol molecule in (II), containing Si1, the unique triphenylsilanol molecule in (III) and one of the triphenylsilanol molecules in each of (IV) and (V), those containing Si2 and Si1, respectively, all have conformations fairly close to C₃ (3) symmetry for the non-H atoms: the numerical values of the O—Si—C—C torsional angles in these components lie in the range 24.1 (2) to 66.2 (2)° with a mean of ca 46°, just midway between the two C_3v conformations. However, only one of the triphenylsilanol molecules, that in (III) containing Si2, has a conformation close to Cs (m) symmetry for the non-H atoms. In this molecule the O—Si—C—C torsional angle for one phenyl ring is close to 90° and those for the other two rings are close to zero, but with opposite signs (Table 2). The remaining independent triphenylsilanol molecules have conformations in which the non-H atoms do not even approximate to any symmetry above C₁.

The fully ordered DABCO unit in (I) exhibits the usual twist away from D_3h (m2) symmetry towards D₃ (32) symmetry, with a mean N—C—C—N torsional angle of 9.1 (4)°. The major component of the disordered DABCO shows a much smaller distortion, with a mean N—C—C—N torsional angle of 2.9 (6)°, while for the minor component the mean N—C—C—N torsional angle is not significantly different from zero.

In each of compounds (I) and (II) the O—H⋯N hydrogen bonds are shorter than the O—H⋯O hydrogen bonds, although the difference is less marked in (II) than in (I). In (IV) and (V) the O—H⋯O hydrogen bonds involving triphenylsilanol as a donor and water as an acceptor are markedly shorter than those involving water as a donor and triphenylsilanol as an acceptor. In (V) both of the hydrogen bonds, to N as well as to O as an acceptor, are markedly shorter with O21 as a donor as compared with O11 as a donor.

3.3. Supramolecular structures

3.3.1. Hydrogen bonds generate a finite, zero-dimensional aggregate

The hard (Braga et al., 1995; Desiraju & Steiner, 1999) hydrogen bonds generate two independent five-component aggregates in the 4:1 adduct (I), both of which lie in general positions in the space group P; in each aggregate an inner pair of triphenylsilanol molecules is linked to a DABCO unit via O—H⋯N hydrogen bonds, with an outer pair of triphenylsilanol molecules again linked to the first pair via O—H⋯O hydrogen bonds (Fig. 1). While all 24 of the independent phenyl rings in (I) are fully ordered, only one of the DABCO units is so ordered. In aggregate 1, containing N11 and N12, the DABCO is fully ordered, but in aggregate 2, containing N21 and N22, there are two orientations of the DABCO unit, related by a rotation of approximately 60° about the N21⋯N22 vector and having occupancies of 0.798 (3) and 0.202 (3), respectively.

There are two significant C—H⋯π(arene) hydrogen bonds in (I) which serve to link the two independent five-component aggregates into a single ten-component unit. Atoms C134 and C724 act as hydrogen-bond donors, respectively, to rings C621–C626 and C411–C416, thus producing an aggregate in which two DABCO and six triphenylsilanol molecules are linked into a large rectangular ring, with the two remaining triphenylsilanol molecules pendent from it (Fig. 2).

Each of the two independent five-component aggregates has a pseudo-inversion centre at the centre of the DABCO moiety. One DABCO molecule (N11–C16) is centred at approximately (½, ½, ¼) and the other (N21–C26) is centred at approximately (½, 0, ¼). This overall 10-molecule aggregate is approximately centrosymmetric about the point (½, ¾, ¼), but the disorder of the type 2 DABCO molecule and the detailed conformations of the triphenylsilanol components (see above, §3.2) both preclude the possibility of any additional symmetry.

3.3.2. Hydrogen bonds generate a one-dimensional structure

In the 4:1 adduct (II), the 1,2-bis(4-pyridyl)ethene unit lies across a centre of inversion in the space group P, selected for the sake of convenience as that at (½, ½, ½). Two triphenylsilanol molecules are linked to the diamine via short O—H⋯N hydrogen bonds and a further pair of triphenylsilanol molecules are linked to the first pair via short O—H⋯O hydrogen bonds. The five-component molecular aggregate (Fig. 3) generated in (I) by the hard hydrogen bonds is thus very similar to that found in each of the polymorphs of the 4:1 adduct formed with 4,4′-bipyridyl.

However, a striking difference between the adducts formed by 4,4′-bipyridyl and 1,2-bis(4-pyridyl)ethene lies in the degree of disorder: whereas all three polymorphs of the 4,4′-bipyridyl adduct exhibit extensive disorder, all components of the 1,2-bis(4-pyridyl)ethene (I) are fully ordered. It is therefore possible to analyse in a straightforward way the effect of the soft (Braga et al., 1995; Desiraju & Steiner, 1999) C—H⋯π(arene) hydrogen bonding in (II), where there is a single such interaction of structural significance. The aromatic atom C33 in the type 1 silanol molecule (containing Si1) at (x, y, z) lies in the five-component aggregate centred at (½, ½, ½), and it acts as a hydrogen-bond donor to the aromatic ring C21–C26 in the type 1 silanol at (-1 + x, y, z), which is part of the aggregate centred at (−½, ½, ½). Propagation of this interaction by translation and inversion thus generates a chain of edge-fused rings, alternatively regarded as a molecular ladder, running parallel to the [100] direction (Fig. 4).

3.3.3. Hydrogen bonds generate a two-dimensional structure

Compound (III) (Fig. 5) is a solvent-free 2:1 adduct in which the N,N′-dimethylpiperazine component lies across a centre of inversion, selected as that at (½, ½, ½) with the triphenylsilanol molecules linked to it via a unique O—H⋯N hydrogen bond (Table 3) to form a centrosymmetric three-component aggregate. There are no aromatic π⋯π stacking interactions in the structure of (III), but two independent C—H⋯π(arene) hydrogen bonds link the molecules into sheets: it is convenient to consider each of these interactions in turn as the substructures which they generate are entirely different.

In the first of these soft hydrogen bonds, the phenyl C13 atom in the molecule at (x, y, z), which lies in the three-molecule aggregate centred at (½, ½, ½), acts as a hydrogen-bond donor to the phenyl ring C21–C26 in the molecule at (x, -1 + y, z), a part of the three-molecule aggregate centred at (½, −½, ½). Propagation of this hydrogen bond by translation and inversion generates a chain of edge-fused rings, or a molecular ladder, running parallel to the [010] direction (Fig. 6).

By contrast with this one-dimensional substructure the second C—H⋯π(arene) hydrogen bond generates a two-dimensional substructure. The phenyl atom C23 in the molecule at (x, y, z) acts as a donor to the ring C21–C26 in the molecule at (), which is part of the three-molecule aggregate centred at (, 1, 1); the ring C21–C26 in the molecule at (x, y, z) itself accepts a similar hydrogen bond from the C23 atom in the molecule at (), which is part of the three-molecule aggregate centred at (, 0, 1). The action of the inversion centre at (½, ½, ½) also links the reference aggregate centred at (½, ½, ½) directly to those centred at (−½, 0, 0) and (−½, 1, 0). Hence, this single soft hydrogen bond links each three-molecule aggregate to four others, thus generating a sheet parallel to (10) (Fig. 7). If the three-component aggregates are regarded as the nodes of the corresponding net, this is of the (4,4) type (Batten & Robson, 1998).

3.3.4. Hydrogen bonds generate a three-dimensional structure

Hard hydrogen bonds generate a finite aggregate: The hard hydrogen bonds in (IV) link the four independent molecular components into a finite, centrosymmetric aggregate of eight molecules (Fig. 8), where all of the individual components lie in general positions. The diamine unit acts as a double acceptor of O—H⋯N hydrogen bonds, one from the water molecule via H32 and one from the triphenylsilanol molecule containing Si2 (Table 3). The water molecule also acts as a hydrogen-bond donor, via H31, to triphenylsilanol O1 within the asymmetric unit, while O1 at (x, y, z) in turn acts as a donor to the water atom O3 at (1 - x, 1 - y, 1 - z). Hence, a centrosymmetric R₄⁴(8) ring is generated, lying at the centre of the eight-molecule aggregate centred at (½, ½, ½). There is just one such aggregate per unit cell, but as the overall length of the aggregate exceeds 30 Å, portions of each aggregate occupy parts of several cells.

An extensive series of C—H⋯π(arene) hydrogen bonds (Table 3) links the eight-component aggregates into a continuous three-dimensional framework and the formation of this framework can most readily be analysed in terms of a number of individual one-dimensional substructures. In the simplest of these, the C115 atom in the internal triphenylsilanol molecule at (x, y, z), which lies in the eight-component aggregate centred at (½, ½, ½), acts as a hydrogen-bond donor to the aryl ring C131–C136 of the corresponding silanol molecule at (1 - x, -y, 1 - z), which itself lies in the aggregate centred at (⋯, −½, ½). Propagation of this interaction by translation and inversion then generates a chain containing two types of ring running parallel to the [010] direction, which is built from just the internal silanol molecules and the water molecules (Fig. 9). In a somewhat similar motif, the C235 atom at (x, y, z) acts as a hydrogen-bond donor to the ring C211–C216 at (4 - x, -y, 2 - z), which lies in the aggregate centred at (, −½, ), thereby generating a second chain of rings, thus time running parallel to the [31] direction.

There are two one-dimensional substructures which each involve two C—H⋯π(arene) hydrogen bonds. In the first of these two, the C16 and C224 atoms at (x, y, z) act as hydrogen-bond donors, respectively, to rings C221–C226 at (3 - x, 1 - y, 2 - z) and C111–C116 at (2 + x, y, 1 + z), which both lie in the aggregate centred at (, ½, ); propagation of these hydrogen bonds then leads to a complex chain of rings running parallel to the [201] direction (Fig. 10). In the second of these two substructures, the C23 and C214 atoms at (x, y, z) act as donors, respectively, to the rings C211–C216 at (-1 + x, y, z) and to C121–C126 at (2 + x, y, z), which lie respectively in the aggregates centred at (−½, ½, ½) and (, ½, ½). Propagation of these interactions generates a ladder-type substructure of some complexity running parallel to the [100] direction (Fig. 11).

The combination of chains running parallel to [100], [010], [201] and [31] is more than sufficient to link all of the eight-molecule aggregates into a single framework.

Hard hydrogen bonds generate a chain of rings: In our previous studies on adduct formation involving triphenylsilanol and 4,4′-bipyridyl, no 2:1 adduct was found: however, we have now isolated from methanol solution a dihydrated 2:1 adduct (Ph₃SiOH)₂·C₁₀H₈N₂·(H₂O)₂ (V). All five independent molecular components in (V) lie in general positions in the space group P (Fig. 12). There are thus six independent O—H bonds available for hydrogen-bond formation, so that there are six independent hard hydrogen bonds within the structure, four of the O—H⋯O type and two of the O—H⋯N type; together these hard hydrogen bonds generate a one-dimensional substructure which combines simplicity and elegance.

Within the selected asymmetric unit, the two triphenylsilanol atoms O1 and O2 act as hydrogen-bond donors to water atoms O11 and O21, respectively, and these water atoms in turn act as donors, respectively, to the N1 and N2 atoms in the bipyridyl unit. There are thus two O—H bonds available to further link these five-molecule aggregates. The water atom O11 at (x, y, z) acts as a hydrogen-bond donor, via H11B, to the silanol atom O1 at (3 - x, -y, 1 - z), thus forming a centrosymmetric R₄⁴(8) ring centred at ( 0, ½); in an entirely similar manner, the water O21 at (x, y, z) acts as a donor, via H21B, to the silanol atom O2 at (-x, -y, -z), producing a second R₄⁴(8) ring, this time centred at (0, 0, 0). Propagation of these motifs by inversion thus generates a C₈⁸(30)[R₄⁴(8)][R₄⁴(8)] chain of rings running parallel to the [301] direction (Fig. 13).

There are four significant C—H⋯π(arene) hydrogen bonds in the structure of (V) (Table 3), all of which involve the phenyl groups only with no participation of the 4,4′-bipyridyl unit, and these link the [301] chains into a continuous three-dimensional framework. It is convenient to consider the effects of these interactions in pairs.

The phenyl atom C114 in the aggregate at (x, y, z) acts as a hydrogen-bond donor to the ring C221–C226 in the aggregate at (2 - x, -y, -z), thus forming a centrosymmetric ring motif centred at (1, 0, 0); in combination with the R₄⁴(8) ring centred at (0, 0, 0) this interaction generates a chain of rings running parallel to the [100] direction. In addition, the phenyl C124 atom at (x, y, z) acts as a donor to the ring C211–C216 at (2 - x, -y, 1 - z), forming another centrosymmetric ring motif, this time centred at (1, 0, ⋯); in combination with the R₄⁴(8) ring centred at (, 0, ½), the second soft hydrogen bond generates another chain of rings running parallel to [100].

Similarly, the phenyl C135 and C215 atoms at (x, y, z) act as hydrogen-bond donors, respectively, to the rings C111–C116 at (3 - x, -1 - y, 1 - z) and C231–C236 at (-x, 1 - y, -z), thus forming two further centrosymmetric ring motifs, centred at (, −½, ½) and (0, ½, 0). In combination with the R₄⁴(8) rings centred at ( 0, ½) and (0, 0, 0), respectively, the two motifs generate two further chains of rings, both running parallel to the [010] direction (Fig. 14). Each of the independent [010] chains in (V) thus has an overall architecture very similar to that of the unique [010] chain in (IV) (Fig. 9).

The combination of the [301] chains generated by hard hydrogen bonds with the [100] and [010] chains involving both hard and soft hydrogen bonds is sufficient to generate a continuous three-dimensional framework.

4. Concluding discussion

In (I) and (II) the hard hydrogen bonds generate five-component aggregates in which an inner pair of triphenylsilanol molecules are hydrogen bonded to the central double acceptor, with an outer pair of triphenylsilanol molecules linked to the inner pair by means of O—H⋯O hydrogen bonds. Entirely similar aggregates are found in the 4:1 adduct (Ph₃SiOH)₄·C₄H₈O₂ formed with 1,4-dioxan (Bourne et al., 1991; Bowes et al., 2002) and in all three polymorphs of the 4:1 adduct (Ph₃SiOH)₄·C₁₀H₈N₂ formed with 4,4′-bipyridyl (Bowes et al., 2003). Moreover, (II) crystallizes in the space group P with Z′ = 0.5, as do the 1,4-dioxan adduct and the simplest of the 4,4′-bipyridyl adducts. Compound (I), on the other hand, crystallizes in the space group P with Z′ = 2, while the other two polymorphs of the 4,4′-bipyridyl adduct, both of which crystallize in the space group P, have Z′ values of 2 × 0.5 = 1 and (4 × 0.5) + 2 = 4, respectively. No example has yet been observed of a 4:1 adduct in which a single five-component aggregate, of the general type exemplified by (I) and (II), lies in a general position.

At the start of this work, we had expected that 2:1 adducts of triphenylsilanol with diamines would represent the dominant stoichiometry, with hard hydrogen bonds giving rise to three-component aggregates: in the event, this has proved not to be so. Such an adduct is found with N,N′-dimethylpiperazine (III), but the only 2:1 adduct so far observed with 4,4′-bipyridyl is the hydrated compound (V), where the R₄⁴(8) rings are reminiscent of those in tetrameric triphenylsilanol itself. Similarly, with 1,2-bis(4-pyridyl)ethane, while the adduct (IV) does indeed contain a 2:1 ratio of triphenylsilanol to diamine molecules, this is also a hydrate and again, as in (V), there is a R⁴₄(8) ring present, analogous to those in (Ph₃SiOH)₄. In addition, we may note here the formation of a 2:1 adduct (Ph₃SiOH)₂·C₂H₆OS formed with dimethylsulfoxide, in which a three-component aggregate lies across a twofold rotation axis, with the sulfoxide O atom acting as a double acceptor of O—H⋯O hydrogen bonds (Bowes et al., 2002). However, the failure of triphenylsilanol to form crystalline adducts with piperazine and hexamethylenetetramine is unexpected.

Likewise, having characterized a number of adducts of triphenylsilanol and various diamines, we had initially expected that an analogous series of adducts would readily be formed with triphenylmethanol, Ph₃COH. Our reasoning here was based on the fact that whereas in the cyclic tetramer of triphenylsilanol there is one fully ordered O—H⋯O hydrogen bond per O⋯O edge in the R⁴₄(8) ring (Bowes et al., 2002), in the tetrahedral tetramer of triphenylmethanol (Ferguson et al., 1992), there are only four hydroxyl H atoms distributed over the six O⋯O edges of the tetrahedron. These H atoms are, in fact, mobile over a number of sites at ambient temperature (Aliev et al., 1998), and neutron diffraction at 100 K was required to locate these H sites unambiguously (Serrano-González et al., 1999). Accordingly, we had expected that disruption of the triphenylmethanol tetramer would be achieved more readily than the disruption of the triphenylsilanol tetramer. Liberal application of hindsight suggests that an equally important consideration may be the intrinsic acidity of the hydroxyl groups in the two compounds Ph₃MOH (M = C or Si), where it is generally the case that silanols are more acidic than the corresponding carbinols (Eaborn, 1960; Sommer, 1965)

Supporting information

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, 1997) and WinGX (Farrugia, 1999) for (I); SHELXS97 (Sheldrick, 1997) for (II), (III), (IV), (V). For all compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997) and PRPKAPPA (Ferguson, 1999).

Figures

In full text version

(I) Triphenylsilanol–1,4-diazabicyclo[2.2.2]octane (4/1)

Crystal data

C6H12N2·4(C18H16OSi)	Z = 4
Mr = 1217.77	F(000) = 2584
Triclinic, P1	Dx = 1.219 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 15.2124 (5) Å	Cell parameters from 30027 reflections
b = 18.9580 (4) Å	θ = 2.6–27.5°
c = 23.3561 (7) Å	µ = 0.14 mm^−1
α = 86.713 (2)°	T = 150 K
β = 85.727 (2)°	Block, colourless
γ = 81.563 (2)°	0.34 × 0.32 × 0.12 mm
V = 6637.0 (3) Å^3

Data collection

Kappa-CCD diffractometer	30027 independent reflections
Radiation source: fine-focus sealed X-ray tube	13026 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.093
ϕ scans, and ω scans with κ offsets	θmax = 27.5°, θmin = 2.6°
Absorption correction: multi-scan DENZO-SMN (Otwinowski & Minor, 1997)	h = −19→19
Tmin = 0.972, Tmax = 0.986	k = −24→24
58413 measured reflections	l = −29→30

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)] = 0.073	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.225	H atoms treated by a mixture of independent and constrained refinement
S = 0.96	w = 1/[σ^2(Fo^2) + (0.1027P)^2] where P = (Fo^2 + 2Fc^2)/3
30027 reflections	(Δ/σ)max = 0.001
1331 parameters	Δρmax = 0.56 e Å^−3
9 restraints	Δρmin = −0.47 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
N11	0.44804 (18)	0.54728 (13)	0.26461 (12)	0.0314 (7)
N12	0.56231 (18)	0.43500 (12)	0.25108 (12)	0.0302 (7)
C11	0.4577 (2)	0.50487 (17)	0.31961 (15)	0.0421 (10)
H11A	0.4010	0.4871	0.3320	0.050*
H11B	0.4718	0.5355	0.3497	0.050*
C12	0.5329 (3)	0.44108 (17)	0.31232 (15)	0.0443 (10)
H12A	0.5837	0.4482	0.3344	0.053*
H12B	0.5110	0.3965	0.3274	0.053*
C13	0.4195 (2)	0.50214 (16)	0.22227 (16)	0.0363 (9)
H13A	0.4183	0.5277	0.1841	0.044*
H13B	0.3585	0.4918	0.2338	0.044*
C14	0.4840 (2)	0.43194 (17)	0.21855 (17)	0.0443 (10)
H14A	0.4532	0.3918	0.2342	0.053*
H14B	0.5033	0.4233	0.1778	0.053*
C15	0.5357 (2)	0.56674 (16)	0.24415 (16)	0.0374 (9)
H15A	0.5587	0.5928	0.2740	0.045*
H15B	0.5295	0.5986	0.2091	0.045*
C16	0.6015 (2)	0.49904 (16)	0.23062 (17)	0.0415 (10)
H16A	0.6160	0.4977	0.1886	0.050*
H16B	0.6574	0.4999	0.2496	0.050*
Si1	0.28257 (6)	0.70682 (4)	0.22948 (4)	0.0249 (2)
O1	0.31595 (15)	0.65226 (10)	0.28297 (9)	0.0311 (6)
H1	0.3562	0.6205	0.2707	0.047*
C111	0.37538 (12)	0.70759 (11)	0.17108 (9)	0.0271 (8)
C112	0.44056 (15)	0.75110 (11)	0.17479 (10)	0.0455 (10)
H112	0.4349	0.7843	0.2043	0.055*
C113	0.51403 (14)	0.74607 (13)	0.13535 (12)	0.0656 (14)
H113	0.5586	0.7758	0.1379	0.079*
C114	0.52232 (14)	0.69752 (14)	0.09220 (11)	0.0641 (14)
H114	0.5725	0.6941	0.0652	0.077*
C115	0.45714 (16)	0.65401 (12)	0.08849 (9)	0.0488 (11)
H115	0.4628	0.6208	0.0590	0.059*
C116	0.38367 (13)	0.65904 (10)	0.12792 (9)	0.0329 (8)
H116	0.3391	0.6293	0.1254	0.039*
C121	0.18230 (11)	0.67787 (10)	0.19910 (9)	0.0254 (8)
C122	0.13360 (15)	0.63194 (11)	0.23222 (8)	0.0399 (9)
H122	0.1534	0.6127	0.2683	0.048*
C123	0.05596 (14)	0.61422 (11)	0.21263 (10)	0.0505 (11)
H123	0.0227	0.5828	0.2353	0.061*
C124	0.02701 (12)	0.64243 (12)	0.15991 (11)	0.0479 (11)
H124	−0.0261	0.6303	0.1465	0.058*
C125	0.07571 (15)	0.68836 (11)	0.12679 (8)	0.0404 (9)
H125	0.0559	0.7076	0.0908	0.048*
C126	0.15336 (13)	0.70608 (10)	0.14638 (8)	0.0310 (8)
H126	0.1866	0.7375	0.1237	0.037*
C131	0.25236 (14)	0.79876 (7)	0.25904 (8)	0.0260 (7)
C132	0.26188 (14)	0.80863 (9)	0.31664 (8)	0.0378 (9)
H132	0.2860	0.7697	0.3408	0.045*
C133	0.23612 (15)	0.87554 (10)	0.33891 (7)	0.0413 (10)
H133	0.2426	0.8823	0.3783	0.050*
C134	0.20083 (14)	0.93257 (8)	0.30356 (9)	0.0332 (9)
H134	0.1832	0.9783	0.3188	0.040*
C135	0.19131 (14)	0.92270 (8)	0.24596 (8)	0.0336 (9)
H135	0.1672	0.9617	0.2218	0.040*
C136	0.21707 (14)	0.85580 (10)	0.22369 (7)	0.0320 (8)
H136	0.2106	0.8491	0.1843	0.038*
Si2	0.24261 (6)	0.61585 (4)	0.45022 (4)	0.0286 (2)
O2	0.31905 (14)	0.62637 (12)	0.39892 (10)	0.0365 (6)
H2	0.2947	0.6421	0.3687	0.055*
C211	0.13876 (12)	0.58822 (11)	0.42385 (9)	0.0302 (8)
C212	0.08938 (15)	0.63531 (9)	0.38654 (10)	0.0408 (9)
H212	0.1093	0.6792	0.3739	0.049*
C213	0.01086 (15)	0.61825 (11)	0.36774 (10)	0.0504 (11)
H213	−0.0229	0.6504	0.3422	0.060*
C214	−0.01828 (13)	0.55409 (13)	0.38624 (11)	0.0482 (10)
H214	−0.0719	0.5424	0.3734	0.058*
C215	0.03110 (16)	0.50700 (10)	0.42354 (10)	0.0479 (11)
H215	0.0112	0.4631	0.4362	0.057*
C216	0.10962 (15)	0.52406 (10)	0.44235 (9)	0.0427 (10)
H216	0.1434	0.4919	0.4678	0.051*
C221	0.29558 (15)	0.54432 (10)	0.50240 (9)	0.0323 (8)
C222	0.37207 (15)	0.49914 (12)	0.48488 (8)	0.0487 (11)
H222	0.3993	0.5053	0.4474	0.058*
C223	0.40867 (14)	0.44487 (11)	0.52226 (11)	0.0546 (11)
H223	0.4609	0.4140	0.5103	0.065*
C224	0.36877 (17)	0.43579 (11)	0.57718 (10)	0.0510 (11)
H224	0.3938	0.3987	0.6027	0.061*
C225	0.29228 (17)	0.48098 (12)	0.59470 (8)	0.0533 (11)
H225	0.2650	0.4748	0.6322	0.064*
C226	0.25568 (14)	0.53524 (11)	0.55732 (9)	0.0443 (10)
H226	0.2034	0.5661	0.5693	0.053*
C231	0.20726 (14)	0.70312 (8)	0.48692 (9)	0.0276 (8)
C232	0.25365 (13)	0.76028 (11)	0.47260 (9)	0.0341 (9)
H232	0.3016	0.7558	0.4439	0.041*
C233	0.22994 (15)	0.82398 (9)	0.50024 (10)	0.0429 (10)
H233	0.2616	0.8631	0.4905	0.051*
C234	0.15984 (16)	0.83052 (9)	0.54219 (10)	0.0454 (10)
H234	0.1436	0.8741	0.5611	0.055*
C235	0.11345 (13)	0.77335 (11)	0.55651 (9)	0.0422 (10)
H235	0.0655	0.7778	0.5852	0.051*
C236	0.13716 (13)	0.70965 (9)	0.52887 (9)	0.0357 (9)
H236	0.1055	0.6706	0.5387	0.043*
Si3	0.72949 (6)	0.27080 (4)	0.26508 (4)	0.0249 (2)
O3	0.68174 (15)	0.32722 (11)	0.21735 (9)	0.0312 (6)
H3	0.6440	0.3574	0.2341	0.047*
C311	0.64610 (12)	0.26510 (10)	0.32911 (8)	0.0252 (8)
C312	0.56607 (14)	0.24265 (11)	0.31860 (8)	0.0333 (8)
H312	0.5577	0.2268	0.2818	0.040*
C313	0.49823 (11)	0.24338 (12)	0.36196 (11)	0.0450 (10)
H313	0.4435	0.2280	0.3548	0.054*
C314	0.51042 (13)	0.26656 (12)	0.41582 (9)	0.0492 (11)
H314	0.4641	0.2671	0.4454	0.059*
C315	0.59045 (16)	0.28901 (12)	0.42633 (7)	0.0444 (10)
H315	0.5988	0.3049	0.4631	0.053*
C316	0.65829 (12)	0.28828 (11)	0.38298 (9)	0.0349 (8)
H316	0.7130	0.3036	0.3902	0.042*
C321	0.75778 (14)	0.18044 (8)	0.23261 (8)	0.0258 (7)
C322	0.74779 (14)	0.17171 (9)	0.17488 (8)	0.0352 (9)
H322	0.7242	0.2113	0.1511	0.042*
C323	0.77235 (15)	0.10509 (11)	0.15191 (7)	0.0430 (10)
H323	0.7655	0.0991	0.1125	0.052*
C324	0.80689 (15)	0.04719 (8)	0.18667 (9)	0.0396 (10)
H324	0.8237	0.0017	0.1710	0.047*
C325	0.81687 (14)	0.05592 (8)	0.24440 (9)	0.0348 (9)
H325	0.8405	0.0164	0.2682	0.042*
C326	0.79232 (14)	0.12254 (10)	0.26737 (7)	0.0304 (8)
H326	0.7991	0.1285	0.3068	0.036*
C331	0.83601 (11)	0.30003 (10)	0.28665 (9)	0.0261 (8)
C332	0.83106 (11)	0.36518 (9)	0.31200 (9)	0.0353 (9)
H332	0.7751	0.3942	0.3183	0.042*
C333	0.90806 (15)	0.38794 (9)	0.32811 (9)	0.0396 (9)
H333	0.9047	0.4325	0.3454	0.048*
C334	0.98999 (12)	0.34554 (11)	0.31887 (9)	0.0379 (9)
H334	1.0426	0.3611	0.3299	0.046*
C335	0.99493 (11)	0.28038 (10)	0.29352 (9)	0.0388 (9)
H335	1.0509	0.2514	0.2872	0.047*
C336	0.91794 (13)	0.25763 (8)	0.27741 (9)	0.0318 (8)
H336	0.9213	0.2131	0.2601	0.038*
Si4	0.75387 (6)	0.38491 (4)	0.05851 (4)	0.0264 (2)
O4	0.67293 (14)	0.38778 (11)	0.10872 (9)	0.0326 (6)
H4	0.6892	0.3604	0.1367	0.049*
C411	0.85902 (12)	0.41015 (10)	0.08567 (9)	0.0284 (8)
C412	0.89569 (14)	0.37274 (9)	0.13319 (9)	0.0329 (8)
H412	0.8694	0.3338	0.1509	0.039*
C413	0.97080 (14)	0.39233 (10)	0.15487 (8)	0.0362 (9)
H413	0.9959	0.3668	0.1874	0.043*
C414	1.00924 (12)	0.44933 (11)	0.12902 (9)	0.0391 (9)
H414	1.0606	0.4627	0.1438	0.047*
C415	0.97257 (14)	0.48674 (9)	0.08150 (9)	0.0362 (9)
H415	0.9988	0.5257	0.0638	0.043*
C416	0.89746 (14)	0.46715 (10)	0.05982 (8)	0.0327 (8)
H416	0.8724	0.4927	0.0273	0.039*
C421	0.77748 (14)	0.29252 (8)	0.02850 (9)	0.0273 (8)
C422	0.70652 (11)	0.26802 (10)	0.00548 (9)	0.0351 (9)
H422	0.6500	0.2970	0.0057	0.042*
C423	0.71832 (14)	0.20119 (11)	−0.01783 (9)	0.0410 (10)
H423	0.6698	0.1844	−0.0336	0.049*
C424	0.80108 (16)	0.15884 (8)	−0.01813 (9)	0.0427 (10)
H424	0.8091	0.1132	−0.0341	0.051*
C425	0.87204 (12)	0.18334 (10)	0.00489 (10)	0.0452 (10)
H425	0.9286	0.1544	0.0047	0.054*
C426	0.86024 (12)	0.25018 (11)	0.02820 (9)	0.0384 (9)
H426	0.9087	0.2669	0.0439	0.046*
C431	0.71142 (13)	0.45028 (9)	−0.00069 (7)	0.0264 (8)
C432	0.63297 (13)	0.49739 (11)	0.00759 (7)	0.0350 (9)
H432	0.5989	0.4965	0.0433	0.042*
C433	0.60437 (12)	0.54587 (10)	−0.03644 (10)	0.0405 (9)
H433	0.5507	0.5781	−0.0308	0.049*
C434	0.65422 (15)	0.54723 (10)	−0.08874 (8)	0.0397 (9)
H434	0.6347	0.5804	−0.1188	0.048*
C435	0.73268 (15)	0.50012 (11)	−0.09701 (7)	0.0397 (9)
H435	0.7668	0.5011	−0.1328	0.048*
C436	0.76128 (12)	0.45165 (10)	−0.05299 (9)	0.0317 (8)
H436	0.8149	0.4194	−0.0586	0.038*
N21	0.4454 (4)	0.0560 (3)	0.2525 (2)	0.0300 (11)	0.798 (3)
N22	0.5656 (4)	−0.0533 (4)	0.2415 (2)	0.0322 (11)	0.798 (3)
C21	0.4068 (3)	−0.0097 (2)	0.2664 (2)	0.0450 (14)	0.798 (3)
H21A	0.3574	−0.0117	0.2415	0.054*	0.798 (3)
H21B	0.3822	−0.0100	0.3069	0.054*	0.798 (3)
C22	0.4777 (3)	−0.0745 (2)	0.2577 (2)	0.0472 (14)	0.798 (3)
H22A	0.4808	−0.1048	0.2936	0.057*	0.798 (3)
H22B	0.4608	−0.1031	0.2271	0.057*	0.798 (3)
C23	0.4846 (3)	0.0548 (2)	0.19270 (19)	0.0463 (14)	0.798 (3)
H23A	0.5097	0.0995	0.1825	0.056*	0.798 (3)
H23B	0.4379	0.0513	0.1661	0.056*	0.798 (3)
C24	0.5590 (3)	−0.0099 (2)	0.1867 (2)	0.0460 (14)	0.798 (3)
H24A	0.5459	−0.0399	0.1559	0.055*	0.798 (3)
H24B	0.6166	0.0072	0.1757	0.055*	0.798 (3)
C25	0.5162 (3)	0.0594 (2)	0.2909 (2)	0.0443 (13)	0.798 (3)
H25A	0.4907	0.0619	0.3311	0.053*	0.798 (3)
H25B	0.5439	0.1030	0.2810	0.053*	0.798 (3)
C26	0.5876 (3)	−0.0071 (2)	0.2853 (2)	0.0444 (13)	0.798 (3)
H26A	0.6465	0.0080	0.2746	0.053*	0.798 (3)
H26B	0.5912	−0.0342	0.3228	0.053*	0.798 (3)
N31	0.4434 (16)	0.0489 (14)	0.2585 (8)	0.039 (2)*	0.202 (3)
N32	0.5606 (19)	−0.0582 (16)	0.2439 (8)	0.039 (2)*	0.202 (3)
C31	0.4200 (11)	0.0039 (7)	0.2142 (8)	0.039 (2)*	0.202 (3)
H31A	0.4165	0.0319	0.1771	0.047*	0.202 (3)
H31B	0.3605	−0.0100	0.2250	0.047*	0.202 (3)
C32	0.4882 (11)	−0.0638 (8)	0.2067 (8)	0.039 (2)*	0.202 (3)
H32A	0.4603	−0.1069	0.2180	0.047*	0.202 (3)
H32B	0.5117	−0.0670	0.1660	0.047*	0.202 (3)
C33	0.5306 (10)	0.0704 (7)	0.2395 (9)	0.039 (2)*	0.202 (3)
H33A	0.5491	0.0997	0.2690	0.047*	0.202 (3)
H33B	0.5247	0.1005	0.2035	0.047*	0.202 (3)
C34	0.6031 (11)	0.0060 (7)	0.2291 (9)	0.039 (2)*	0.202 (3)
H34A	0.6264	0.0064	0.1884	0.047*	0.202 (3)
H34B	0.6532	0.0073	0.2536	0.047*	0.202 (3)
C35	0.4525 (11)	0.0064 (7)	0.3132 (8)	0.039 (2)*	0.202 (3)
H35A	0.3953	−0.0103	0.3259	0.047*	0.202 (3)
H35B	0.4683	0.0363	0.3432	0.047*	0.202 (3)
C36	0.5261 (11)	−0.0584 (8)	0.3045 (8)	0.039 (2)*	0.202 (3)
H36A	0.5750	−0.0556	0.3297	0.047*	0.202 (3)
H36B	0.5014	−0.1032	0.3150	0.047*	0.202 (3)
Si5	0.27494 (6)	0.21410 (4)	0.22698 (4)	0.0262 (2)
O5	0.31378 (15)	0.15735 (11)	0.27731 (9)	0.0344 (6)
H5	0.3544	0.1274	0.2629	0.052*
C511	0.36324 (13)	0.22061 (12)	0.16649 (9)	0.0289 (8)
C512	0.43499 (15)	0.25544 (11)	0.17543 (9)	0.0408 (10)
H512	0.4351	0.2807	0.2094	0.049*
C513	0.50660 (13)	0.25335 (13)	0.13466 (12)	0.0613 (13)
H513	0.5556	0.2772	0.1408	0.074*
C514	0.50647 (15)	0.21642 (15)	0.08495 (11)	0.0665 (14)
H514	0.5554	0.2150	0.0571	0.080*
C515	0.43473 (18)	0.18158 (14)	0.07601 (9)	0.0654 (13)
H515	0.4346	0.1563	0.0420	0.078*
C516	0.36311 (14)	0.18367 (12)	0.11678 (10)	0.0466 (10)
H516	0.3141	0.1599	0.1107	0.056*
C521	0.17452 (11)	0.18347 (10)	0.19765 (9)	0.0260 (8)
C522	0.14143 (14)	0.12404 (10)	0.22358 (8)	0.0337 (9)
H522	0.1709	0.0979	0.2543	0.040*
C523	0.06526 (14)	0.10293 (9)	0.20462 (10)	0.0410 (10)
H523	0.0426	0.0623	0.2223	0.049*
C524	0.02217 (12)	0.14125 (12)	0.15973 (10)	0.0431 (10)
H524	−0.0299	0.1268	0.1468	0.052*
C525	0.05525 (14)	0.20067 (11)	0.13380 (8)	0.0413 (9)
H525	0.0258	0.2269	0.1031	0.050*
C526	0.13143 (14)	0.22178 (9)	0.15276 (9)	0.0357 (9)
H526	0.1540	0.2624	0.1350	0.043*
C531	0.24440 (14)	0.30416 (8)	0.26053 (9)	0.0286 (8)
C532	0.25502 (14)	0.31018 (9)	0.31856 (8)	0.0372 (9)
H532	0.2764	0.2692	0.3415	0.045*
C533	0.23436 (15)	0.37624 (11)	0.34299 (7)	0.0426 (10)
H533	0.2416	0.3804	0.3826	0.051*
C534	0.20307 (15)	0.43627 (8)	0.30938 (9)	0.0379 (9)
H534	0.1890	0.4814	0.3261	0.046*
C535	0.19245 (14)	0.43024 (8)	0.25135 (9)	0.0356 (9)
H535	0.1711	0.4713	0.2284	0.043*
C536	0.21311 (14)	0.36419 (10)	0.22692 (7)	0.0354 (9)
H536	0.2058	0.3601	0.1873	0.042*
Si6	0.24114 (6)	0.10501 (5)	0.44015 (4)	0.0303 (2)
O6	0.31904 (15)	0.10205 (12)	0.38799 (10)	0.0414 (6)
H6	0.3024	0.1316	0.3614	0.062*
C611	0.21261 (15)	0.19872 (9)	0.46602 (10)	0.0333 (8)
C612	0.28419 (12)	0.23059 (13)	0.48028 (11)	0.0515 (11)
H612	0.3432	0.2062	0.4749	0.062*
C613	0.26949 (17)	0.29817 (13)	0.50238 (11)	0.0632 (13)
H613	0.3184	0.3200	0.5121	0.076*
C614	0.1832 (2)	0.33387 (9)	0.51022 (11)	0.0558 (12)
H614	0.1732	0.3801	0.5253	0.067*
C615	0.11162 (15)	0.30199 (12)	0.49595 (11)	0.0611 (12)
H615	0.0527	0.3264	0.5013	0.073*
C616	0.12633 (13)	0.23442 (12)	0.47385 (11)	0.0490 (10)
H616	0.0774	0.2126	0.4641	0.059*
C621	0.13682 (12)	0.07256 (10)	0.41804 (9)	0.0287 (8)
C622	0.08946 (15)	0.10987 (9)	0.37447 (9)	0.0353 (9)
H622	0.1080	0.1523	0.3571	0.042*
C623	0.01498 (14)	0.08515 (12)	0.35636 (9)	0.0416 (9)
H623	−0.0174	0.1107	0.3266	0.050*
C624	−0.01214 (12)	0.02313 (12)	0.38182 (10)	0.0423 (10)
H624	−0.0630	0.0062	0.3694	0.051*
C625	0.03522 (15)	−0.01418 (9)	0.42539 (10)	0.0408 (9)
H625	0.0167	−0.0566	0.4428	0.049*
C626	0.10970 (14)	0.01053 (10)	0.44350 (8)	0.0349 (9)
H626	0.1421	−0.0150	0.4733	0.042*
C631	0.29037 (14)	0.04284 (10)	0.49937 (8)	0.0317 (8)
C632	0.36744 (14)	−0.00520 (12)	0.48903 (8)	0.0395 (9)
H632	0.3994	−0.0044	0.4525	0.047*
C633	0.39783 (13)	−0.05440 (11)	0.53213 (11)	0.0486 (10)
H633	0.4505	−0.0872	0.5251	0.058*
C634	0.35114 (16)	−0.05556 (11)	0.58557 (9)	0.0473 (10)
H634	0.3719	−0.0892	0.6150	0.057*
C635	0.27406 (16)	−0.00752 (12)	0.59591 (7)	0.0451 (10)
H635	0.2422	−0.0083	0.6324	0.054*
C636	0.24368 (12)	0.04168 (11)	0.55281 (9)	0.0402 (9)
H636	0.1910	0.0745	0.5599	0.048*
Si7	0.73007 (6)	−0.21502 (4)	0.27264 (4)	0.0282 (2)
O7	0.69576 (16)	−0.15835 (11)	0.22080 (9)	0.0373 (6)
H7	0.6552	−0.1274	0.2340	0.056*
C711	0.63758 (13)	−0.21758 (12)	0.33147 (9)	0.0318 (8)
C712	0.56982 (16)	−0.25806 (11)	0.32587 (10)	0.0439 (10)
H712	0.5729	−0.2882	0.2945	0.053*
C713	0.49758 (14)	−0.25441 (13)	0.36624 (13)	0.0587 (13)
H713	0.4513	−0.2821	0.3624	0.070*
C714	0.49309 (15)	−0.21028 (16)	0.41219 (11)	0.0737 (15)
H714	0.4437	−0.2078	0.4398	0.088*
C715	0.56084 (18)	−0.16979 (16)	0.41779 (10)	0.0809 (16)
H715	0.5578	−0.1396	0.4492	0.097*
C716	0.63308 (15)	−0.17344 (14)	0.37743 (11)	0.0553 (11)
H716	0.6794	−0.1458	0.3813	0.066*
C721	0.76014 (14)	−0.30510 (8)	0.23964 (9)	0.0297 (8)
C722	0.74801 (15)	−0.31273 (9)	0.18204 (9)	0.0409 (9)
H722	0.7234	−0.2728	0.1591	0.049*
C723	0.77193 (16)	−0.37882 (12)	0.15806 (7)	0.0464 (10)
H723	0.7636	−0.3840	0.1187	0.056*
C724	0.80798 (15)	−0.43728 (9)	0.19169 (10)	0.0397 (10)
H724	0.8243	−0.4825	0.1753	0.048*
C725	0.82011 (14)	−0.42965 (9)	0.24929 (9)	0.0380 (9)
H725	0.8447	−0.4696	0.2723	0.046*
C726	0.79619 (15)	−0.36356 (11)	0.27327 (7)	0.0372 (9)
H726	0.8045	−0.3584	0.3126	0.045*
C731	0.83089 (12)	−0.18720 (11)	0.30319 (9)	0.0291 (8)
C732	0.88043 (17)	−0.14358 (12)	0.26823 (8)	0.0501 (11)
H732	0.8602	−0.1253	0.2320	0.060*
C733	0.95952 (16)	−0.12662 (12)	0.28624 (11)	0.0604 (13)
H733	0.9934	−0.0968	0.2623	0.072*
C734	0.98907 (13)	−0.15329 (13)	0.33919 (12)	0.0514 (11)
H734	1.0431	−0.1417	0.3515	0.062*
C735	0.93954 (16)	−0.19692 (12)	0.37415 (9)	0.0494 (10)
H735	0.9597	−0.2151	0.4103	0.059*
C736	0.86045 (14)	−0.21387 (11)	0.35614 (9)	0.0422 (10)
H736	0.8266	−0.2437	0.3800	0.051*
Si8	0.77338 (6)	−0.12486 (4)	0.05555 (4)	0.0272 (2)
O8	0.69515 (14)	−0.12384 (12)	0.10699 (9)	0.0348 (6)
H8	0.7173	−0.1404	0.1377	0.052*
C811	0.87940 (12)	−0.09658 (10)	0.07862 (9)	0.0276 (8)
C812	0.92899 (14)	−0.14033 (8)	0.11792 (9)	0.0351 (9)
H812	0.9103	−0.1841	0.1321	0.042*
C813	1.00586 (14)	−0.12001 (11)	0.13654 (9)	0.0398 (9)
H813	1.0398	−0.1499	0.1634	0.048*
C814	1.03314 (12)	−0.05593 (12)	0.11584 (10)	0.0389 (9)
H814	1.0857	−0.0420	0.1286	0.047*
C815	0.98354 (14)	−0.01218 (9)	0.07654 (9)	0.0367 (9)
H815	1.0022	0.0316	0.0624	0.044*
C816	0.90667 (14)	−0.03251 (9)	0.05792 (8)	0.0334 (8)
H816	0.8728	−0.0026	0.0311	0.040*
C821	0.80144 (14)	−0.21759 (9)	0.02676 (9)	0.0280 (8)
C822	0.72972 (11)	−0.25025 (12)	0.01392 (11)	0.0475 (11)
H822	0.6706	−0.2269	0.0211	0.057*
C823	0.74451 (15)	−0.31709 (12)	−0.00947 (11)	0.0576 (13)
H823	0.6955	−0.3394	−0.0182	0.069*
C824	0.83102 (18)	−0.35126 (9)	−0.02003 (10)	0.0471 (11)
H824	0.8411	−0.3969	−0.0360	0.057*
C825	0.90274 (13)	−0.31860 (11)	−0.00719 (11)	0.0489 (11)
H825	0.9619	−0.3420	−0.0144	0.059*
C826	0.88795 (12)	−0.25176 (11)	0.01620 (10)	0.0425 (10)
H826	0.9370	−0.2294	0.0250	0.051*
C831	0.72382 (13)	−0.05972 (10)	−0.00184 (8)	0.0271 (8)
C832	0.64660 (14)	−0.01297 (11)	0.01132 (8)	0.0396 (9)
H832	0.6181	−0.0145	0.0489	0.048*
C833	0.61112 (12)	0.03597 (10)	−0.03046 (10)	0.0462 (10)
H833	0.5583	0.0679	−0.0215	0.055*
C834	0.65287 (15)	0.03817 (10)	−0.08541 (9)	0.0437 (10)
H834	0.6286	0.0716	−0.1140	0.052*
C835	0.73010 (15)	−0.00858 (12)	−0.09857 (7)	0.0401 (9)
H835	0.7586	−0.0071	−0.1361	0.048*
C836	0.76558 (12)	−0.05753 (10)	−0.05679 (9)	0.0333 (8)
H836	0.8184	−0.0895	−0.0658	0.040*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
N11	0.0295 (17)	0.0282 (14)	0.0353 (18)	0.0030 (12)	−0.0069 (14)	−0.0025 (13)
N12	0.0310 (17)	0.0253 (14)	0.0327 (17)	0.0035 (12)	−0.0038 (14)	−0.0033 (12)
C11	0.047 (2)	0.0360 (19)	0.037 (2)	0.0131 (17)	−0.0026 (19)	−0.0006 (17)
C12	0.050 (3)	0.040 (2)	0.036 (2)	0.0117 (18)	0.0001 (19)	0.0024 (17)
C13	0.032 (2)	0.0334 (18)	0.044 (2)	−0.0014 (16)	−0.0101 (18)	−0.0054 (17)
C14	0.039 (2)	0.038 (2)	0.058 (3)	0.0020 (17)	−0.015 (2)	−0.0178 (18)
C15	0.035 (2)	0.0283 (17)	0.051 (2)	−0.0069 (16)	−0.0096 (18)	−0.0030 (17)
C16	0.029 (2)	0.0332 (19)	0.061 (3)	−0.0048 (16)	0.0000 (19)	0.0050 (18)
Si1	0.0249 (5)	0.0234 (4)	0.0246 (5)	0.0024 (4)	−0.0020 (4)	−0.0013 (4)
O1	0.0331 (15)	0.0292 (12)	0.0258 (13)	0.0123 (10)	−0.0007 (11)	−0.0032 (10)
C111	0.0249 (19)	0.0233 (16)	0.032 (2)	0.0010 (14)	−0.0057 (15)	−0.0004 (14)
C112	0.035 (2)	0.038 (2)	0.064 (3)	−0.0088 (17)	0.004 (2)	−0.0067 (19)
C113	0.037 (3)	0.054 (3)	0.105 (4)	−0.018 (2)	0.019 (3)	−0.001 (3)
C114	0.044 (3)	0.068 (3)	0.073 (3)	−0.002 (2)	0.032 (2)	−0.001 (3)
C115	0.044 (3)	0.056 (2)	0.042 (3)	0.005 (2)	0.008 (2)	−0.0068 (19)
C116	0.030 (2)	0.0334 (18)	0.033 (2)	0.0009 (15)	0.0001 (16)	−0.0027 (16)
C121	0.0252 (19)	0.0205 (15)	0.030 (2)	−0.0018 (14)	0.0000 (15)	−0.0033 (14)
C122	0.044 (2)	0.039 (2)	0.038 (2)	−0.0148 (18)	0.0013 (19)	0.0060 (17)
C123	0.042 (3)	0.048 (2)	0.065 (3)	−0.022 (2)	−0.004 (2)	0.006 (2)
C124	0.028 (2)	0.043 (2)	0.075 (3)	−0.0055 (18)	−0.005 (2)	−0.021 (2)
C125	0.038 (2)	0.0367 (19)	0.046 (2)	0.0036 (17)	−0.0084 (19)	−0.0069 (18)
C126	0.028 (2)	0.0338 (18)	0.032 (2)	−0.0042 (15)	−0.0017 (16)	−0.0034 (16)
C131	0.0215 (18)	0.0295 (16)	0.0266 (19)	−0.0006 (14)	−0.0031 (15)	−0.0044 (14)
C132	0.052 (3)	0.0285 (17)	0.031 (2)	0.0055 (16)	−0.0087 (18)	−0.0010 (15)
C133	0.061 (3)	0.0359 (19)	0.027 (2)	0.0010 (18)	−0.0107 (19)	−0.0086 (16)
C134	0.033 (2)	0.0251 (17)	0.040 (2)	−0.0024 (15)	0.0075 (17)	−0.0050 (16)
C135	0.040 (2)	0.0248 (17)	0.035 (2)	0.0007 (15)	−0.0046 (17)	0.0010 (15)
C136	0.035 (2)	0.0278 (17)	0.032 (2)	0.0002 (15)	−0.0046 (16)	−0.0011 (15)
Si2	0.0295 (6)	0.0303 (5)	0.0251 (5)	−0.0020 (4)	−0.0012 (4)	−0.0022 (4)
O2	0.0322 (14)	0.0467 (14)	0.0282 (14)	0.0023 (11)	−0.0018 (11)	−0.0002 (11)
C211	0.035 (2)	0.0292 (17)	0.026 (2)	−0.0036 (15)	0.0022 (16)	−0.0040 (15)
C212	0.042 (2)	0.0305 (18)	0.052 (3)	−0.0078 (17)	−0.010 (2)	−0.0016 (17)
C213	0.047 (3)	0.040 (2)	0.064 (3)	−0.0002 (19)	−0.018 (2)	−0.004 (2)
C214	0.038 (2)	0.051 (2)	0.059 (3)	−0.0102 (19)	−0.008 (2)	−0.019 (2)
C215	0.059 (3)	0.042 (2)	0.049 (3)	−0.023 (2)	−0.004 (2)	−0.0087 (19)
C216	0.053 (3)	0.039 (2)	0.038 (2)	−0.0101 (19)	−0.007 (2)	−0.0002 (17)
C221	0.033 (2)	0.0329 (18)	0.032 (2)	−0.0036 (16)	−0.0038 (17)	−0.0072 (15)
C222	0.047 (3)	0.047 (2)	0.047 (3)	0.0062 (19)	0.002 (2)	0.0016 (19)
C223	0.044 (3)	0.047 (2)	0.066 (3)	0.0112 (19)	−0.007 (2)	0.005 (2)
C224	0.067 (3)	0.038 (2)	0.051 (3)	−0.009 (2)	−0.026 (2)	0.0060 (19)
C225	0.076 (3)	0.049 (2)	0.033 (2)	−0.006 (2)	−0.006 (2)	0.0065 (19)
C226	0.057 (3)	0.041 (2)	0.031 (2)	0.0058 (19)	−0.007 (2)	0.0032 (17)
C231	0.0248 (19)	0.0340 (17)	0.0237 (19)	0.0007 (15)	−0.0071 (15)	−0.0044 (14)
C232	0.037 (2)	0.0385 (19)	0.028 (2)	−0.0088 (17)	0.0003 (17)	−0.0031 (16)
C233	0.058 (3)	0.0345 (19)	0.039 (2)	−0.0145 (19)	−0.008 (2)	−0.0014 (17)
C234	0.053 (3)	0.0336 (19)	0.048 (3)	0.0045 (18)	−0.009 (2)	−0.0080 (18)
C235	0.036 (2)	0.042 (2)	0.046 (2)	0.0037 (18)	−0.0019 (19)	−0.0050 (18)
C236	0.033 (2)	0.0373 (19)	0.037 (2)	−0.0061 (16)	−0.0021 (17)	−0.0012 (16)
Si3	0.0241 (5)	0.0242 (4)	0.0247 (5)	0.0016 (4)	−0.0015 (4)	0.0000 (4)
O3	0.0296 (14)	0.0342 (12)	0.0252 (13)	0.0092 (10)	−0.0003 (11)	0.0009 (10)
C311	0.0225 (18)	0.0190 (15)	0.032 (2)	0.0018 (13)	−0.0002 (15)	0.0037 (14)
C312	0.029 (2)	0.0321 (18)	0.039 (2)	−0.0053 (15)	−0.0021 (17)	−0.0030 (16)
C313	0.028 (2)	0.046 (2)	0.061 (3)	−0.0087 (17)	0.001 (2)	0.002 (2)
C314	0.038 (2)	0.058 (2)	0.045 (3)	−0.001 (2)	0.015 (2)	0.011 (2)
C315	0.037 (2)	0.059 (2)	0.034 (2)	0.0000 (19)	0.0001 (19)	0.0031 (18)
C316	0.029 (2)	0.046 (2)	0.029 (2)	−0.0020 (16)	−0.0051 (17)	0.0014 (17)
C321	0.0219 (18)	0.0278 (16)	0.027 (2)	−0.0017 (14)	−0.0022 (15)	−0.0028 (14)
C322	0.037 (2)	0.0387 (19)	0.030 (2)	−0.0046 (16)	−0.0021 (17)	−0.0031 (16)
C323	0.048 (3)	0.049 (2)	0.032 (2)	−0.0053 (19)	0.0012 (19)	−0.0127 (18)
C324	0.042 (2)	0.0280 (18)	0.049 (3)	−0.0086 (16)	0.011 (2)	−0.0110 (17)
C325	0.039 (2)	0.0278 (17)	0.037 (2)	−0.0028 (16)	0.0014 (18)	0.0009 (16)
C326	0.032 (2)	0.0304 (17)	0.030 (2)	−0.0041 (15)	−0.0058 (16)	−0.0024 (15)
C331	0.0261 (19)	0.0215 (15)	0.0275 (19)	0.0028 (14)	0.0025 (15)	0.0038 (14)
C332	0.029 (2)	0.0319 (18)	0.044 (2)	0.0004 (15)	0.0000 (17)	−0.0088 (16)
C333	0.044 (2)	0.0321 (18)	0.045 (2)	−0.0090 (17)	−0.0065 (19)	−0.0058 (17)
C334	0.034 (2)	0.044 (2)	0.039 (2)	−0.0172 (18)	−0.0038 (18)	0.0047 (17)
C335	0.031 (2)	0.039 (2)	0.044 (2)	−0.0008 (16)	0.0045 (18)	0.0066 (17)
C336	0.030 (2)	0.0278 (17)	0.036 (2)	−0.0008 (15)	0.0009 (17)	−0.0006 (15)
Si4	0.0289 (6)	0.0263 (5)	0.0233 (5)	−0.0017 (4)	−0.0016 (4)	−0.0001 (4)
O4	0.0337 (14)	0.0364 (13)	0.0254 (14)	0.0005 (10)	0.0000 (11)	0.0029 (10)
C411	0.033 (2)	0.0278 (17)	0.0231 (19)	0.0014 (15)	−0.0015 (16)	−0.0050 (14)
C412	0.039 (2)	0.0289 (17)	0.030 (2)	−0.0029 (16)	−0.0045 (17)	0.0013 (15)
C413	0.042 (2)	0.0324 (18)	0.034 (2)	−0.0011 (17)	−0.0125 (18)	−0.0004 (16)
C414	0.035 (2)	0.040 (2)	0.045 (2)	−0.0060 (17)	−0.0085 (19)	−0.0144 (18)
C415	0.041 (2)	0.0354 (19)	0.033 (2)	−0.0109 (17)	0.0006 (18)	−0.0028 (16)
C416	0.035 (2)	0.0339 (18)	0.030 (2)	−0.0036 (16)	−0.0067 (17)	−0.0035 (16)
C421	0.032 (2)	0.0252 (16)	0.0241 (19)	−0.0048 (15)	−0.0014 (15)	0.0034 (14)
C422	0.032 (2)	0.0337 (18)	0.039 (2)	−0.0040 (16)	−0.0001 (17)	−0.0033 (16)
C423	0.042 (2)	0.039 (2)	0.045 (2)	−0.0154 (18)	0.0008 (19)	−0.0090 (18)
C424	0.062 (3)	0.0275 (18)	0.039 (2)	−0.0086 (19)	0.007 (2)	−0.0046 (16)
C425	0.043 (2)	0.0344 (19)	0.055 (3)	0.0060 (18)	−0.004 (2)	0.0010 (18)
C426	0.036 (2)	0.0343 (19)	0.044 (2)	0.0021 (16)	−0.0104 (18)	−0.0063 (17)
C431	0.0253 (19)	0.0292 (16)	0.0263 (19)	−0.0062 (14)	−0.0039 (15)	−0.0063 (14)
C432	0.035 (2)	0.0343 (18)	0.036 (2)	−0.0044 (16)	−0.0052 (17)	−0.0014 (16)
C433	0.037 (2)	0.038 (2)	0.046 (3)	0.0016 (17)	−0.0139 (19)	−0.0009 (18)
C434	0.051 (3)	0.0363 (19)	0.035 (2)	−0.0107 (18)	−0.0210 (19)	0.0063 (17)
C435	0.049 (3)	0.047 (2)	0.025 (2)	−0.0148 (19)	−0.0005 (18)	−0.0012 (17)
C436	0.036 (2)	0.0337 (18)	0.025 (2)	−0.0029 (16)	−0.0035 (16)	−0.0023 (15)
N21	0.024 (2)	0.024 (2)	0.040 (3)	0.0056 (16)	−0.0038 (19)	−0.0061 (18)
N22	0.027 (2)	0.032 (2)	0.035 (2)	0.0098 (17)	−0.0061 (18)	−0.0065 (18)
C21	0.028 (3)	0.033 (2)	0.075 (4)	−0.004 (2)	−0.005 (3)	−0.005 (2)
C22	0.044 (3)	0.031 (2)	0.068 (4)	−0.010 (2)	−0.003 (3)	−0.005 (2)
C23	0.054 (3)	0.046 (3)	0.032 (3)	0.014 (2)	0.003 (2)	0.001 (2)
C24	0.050 (3)	0.041 (3)	0.040 (3)	0.017 (2)	−0.001 (2)	−0.001 (2)
C25	0.036 (3)	0.040 (3)	0.058 (4)	0.002 (2)	−0.014 (3)	−0.019 (2)
C26	0.035 (3)	0.046 (3)	0.052 (3)	0.004 (2)	−0.012 (2)	−0.015 (2)
Si5	0.0245 (5)	0.0282 (5)	0.0242 (5)	0.0011 (4)	−0.0027 (4)	0.0011 (4)
O5	0.0341 (15)	0.0392 (13)	0.0243 (13)	0.0119 (11)	−0.0003 (11)	−0.0005 (10)
C511	0.027 (2)	0.0273 (16)	0.033 (2)	−0.0030 (14)	−0.0065 (16)	0.0004 (15)
C512	0.035 (2)	0.0329 (19)	0.055 (3)	−0.0056 (17)	−0.0008 (19)	−0.0085 (18)
C513	0.038 (3)	0.047 (2)	0.099 (4)	−0.012 (2)	0.012 (3)	−0.003 (2)
C514	0.053 (3)	0.072 (3)	0.069 (3)	−0.011 (2)	0.030 (3)	0.004 (3)
C515	0.055 (3)	0.098 (3)	0.044 (3)	−0.017 (3)	0.014 (2)	−0.020 (2)
C516	0.040 (2)	0.067 (2)	0.036 (2)	−0.021 (2)	0.0092 (19)	−0.018 (2)
C521	0.0242 (19)	0.0213 (15)	0.030 (2)	0.0025 (14)	0.0023 (15)	−0.0003 (14)
C522	0.031 (2)	0.0232 (16)	0.045 (2)	0.0009 (15)	0.0027 (17)	−0.0040 (15)
C523	0.038 (2)	0.0281 (18)	0.057 (3)	−0.0060 (17)	0.006 (2)	−0.0066 (18)
C524	0.027 (2)	0.043 (2)	0.062 (3)	−0.0058 (17)	−0.001 (2)	−0.0214 (19)
C525	0.038 (2)	0.043 (2)	0.045 (2)	−0.0036 (18)	−0.0143 (19)	−0.0047 (18)
C526	0.034 (2)	0.0302 (18)	0.043 (2)	−0.0027 (16)	−0.0078 (18)	0.0024 (16)
C531	0.0198 (18)	0.0351 (18)	0.030 (2)	−0.0021 (14)	−0.0032 (15)	0.0005 (15)
C532	0.040 (2)	0.040 (2)	0.030 (2)	−0.0003 (17)	−0.0100 (17)	−0.0023 (16)
C533	0.050 (3)	0.050 (2)	0.029 (2)	−0.0050 (19)	−0.0072 (19)	−0.0091 (18)
C534	0.038 (2)	0.0358 (19)	0.041 (2)	−0.0078 (17)	0.0051 (18)	−0.0102 (17)
C535	0.042 (2)	0.0302 (18)	0.033 (2)	−0.0035 (16)	0.0037 (18)	0.0000 (16)
C536	0.042 (2)	0.0345 (18)	0.030 (2)	−0.0046 (16)	−0.0021 (17)	−0.0008 (16)
Si6	0.0291 (6)	0.0334 (5)	0.0270 (6)	−0.0013 (4)	−0.0012 (4)	0.0019 (4)
O6	0.0332 (15)	0.0508 (15)	0.0348 (15)	0.0060 (12)	0.0012 (12)	0.0103 (12)
C611	0.034 (2)	0.0390 (19)	0.027 (2)	−0.0056 (16)	−0.0043 (16)	0.0024 (15)
C612	0.039 (2)	0.058 (2)	0.062 (3)	−0.022 (2)	0.010 (2)	−0.019 (2)
C613	0.072 (3)	0.057 (3)	0.068 (3)	−0.034 (2)	0.010 (3)	−0.018 (2)
C614	0.098 (4)	0.030 (2)	0.041 (3)	−0.014 (2)	−0.010 (3)	0.0005 (18)
C615	0.074 (3)	0.043 (2)	0.063 (3)	0.012 (2)	−0.019 (3)	−0.010 (2)
C616	0.044 (3)	0.046 (2)	0.057 (3)	0.0024 (19)	−0.016 (2)	−0.0116 (19)
C621	0.034 (2)	0.0289 (17)	0.0221 (19)	−0.0026 (15)	0.0044 (16)	−0.0068 (14)
C622	0.036 (2)	0.0344 (18)	0.034 (2)	0.0020 (16)	−0.0057 (18)	−0.0042 (16)
C623	0.038 (2)	0.043 (2)	0.042 (2)	0.0092 (18)	−0.0122 (19)	−0.0119 (18)
C624	0.030 (2)	0.054 (2)	0.047 (3)	−0.0069 (18)	−0.0059 (19)	−0.0189 (19)
C625	0.045 (2)	0.040 (2)	0.039 (2)	−0.0135 (18)	0.0002 (19)	−0.0026 (18)
C626	0.042 (2)	0.0368 (19)	0.028 (2)	−0.0084 (17)	−0.0040 (17)	−0.0056 (16)
C631	0.030 (2)	0.0332 (18)	0.032 (2)	−0.0057 (16)	−0.0036 (16)	0.0009 (15)
C632	0.039 (2)	0.042 (2)	0.036 (2)	0.0006 (17)	−0.0033 (18)	−0.0007 (17)
C633	0.045 (3)	0.046 (2)	0.052 (3)	0.0046 (19)	−0.012 (2)	0.006 (2)
C634	0.052 (3)	0.047 (2)	0.045 (3)	−0.012 (2)	−0.022 (2)	0.0119 (19)
C635	0.047 (3)	0.063 (2)	0.027 (2)	−0.014 (2)	−0.0078 (19)	0.0085 (19)
C636	0.040 (2)	0.048 (2)	0.033 (2)	−0.0046 (18)	−0.0073 (18)	0.0027 (18)
Si7	0.0281 (6)	0.0281 (5)	0.0261 (6)	0.0021 (4)	−0.0014 (4)	0.0018 (4)
O7	0.0415 (16)	0.0367 (13)	0.0252 (14)	0.0180 (11)	0.0036 (11)	0.0026 (10)
C711	0.026 (2)	0.0370 (18)	0.031 (2)	0.0011 (15)	−0.0050 (16)	0.0034 (16)
C712	0.033 (2)	0.0319 (19)	0.065 (3)	−0.0034 (17)	−0.001 (2)	0.0033 (18)
C713	0.028 (2)	0.053 (2)	0.092 (4)	−0.0072 (19)	0.002 (2)	0.016 (2)
C714	0.038 (3)	0.119 (4)	0.061 (3)	−0.018 (3)	0.013 (2)	0.011 (3)
C715	0.044 (3)	0.159 (5)	0.042 (3)	−0.018 (3)	0.009 (2)	−0.031 (3)
C716	0.038 (3)	0.098 (3)	0.034 (2)	−0.017 (2)	0.0036 (19)	−0.022 (2)
C721	0.0255 (19)	0.0296 (17)	0.033 (2)	0.0002 (14)	−0.0043 (16)	0.0013 (15)
C722	0.047 (2)	0.039 (2)	0.035 (2)	0.0015 (17)	−0.0043 (19)	−0.0041 (17)
C723	0.056 (3)	0.047 (2)	0.035 (2)	−0.001 (2)	−0.003 (2)	−0.0109 (19)
C724	0.031 (2)	0.0336 (19)	0.054 (3)	−0.0041 (16)	0.0098 (19)	−0.0131 (18)
C725	0.036 (2)	0.0286 (18)	0.048 (3)	−0.0003 (16)	−0.0017 (19)	0.0006 (17)
C726	0.041 (2)	0.0371 (19)	0.034 (2)	−0.0052 (17)	−0.0114 (18)	−0.0002 (17)
C731	0.028 (2)	0.0284 (17)	0.031 (2)	−0.0053 (15)	0.0022 (16)	0.0012 (15)
C732	0.058 (3)	0.052 (2)	0.043 (3)	−0.020 (2)	0.003 (2)	−0.003 (2)
C733	0.060 (3)	0.068 (3)	0.059 (3)	−0.032 (2)	0.006 (3)	−0.006 (2)
C734	0.037 (2)	0.043 (2)	0.079 (3)	−0.0159 (19)	0.002 (2)	−0.020 (2)
C735	0.051 (3)	0.043 (2)	0.057 (3)	−0.008 (2)	−0.018 (2)	0.001 (2)
C736	0.038 (2)	0.043 (2)	0.046 (3)	−0.0095 (18)	−0.0058 (19)	0.0046 (18)
Si8	0.0293 (6)	0.0274 (5)	0.0245 (5)	−0.0018 (4)	−0.0022 (4)	−0.0023 (4)
O8	0.0310 (14)	0.0432 (14)	0.0272 (14)	0.0042 (11)	−0.0007 (11)	−0.0013 (11)
C811	0.033 (2)	0.0250 (16)	0.0242 (19)	−0.0020 (15)	0.0001 (16)	−0.0053 (14)
C812	0.038 (2)	0.0290 (17)	0.038 (2)	−0.0030 (16)	−0.0069 (18)	−0.0034 (16)
C813	0.039 (2)	0.042 (2)	0.038 (2)	0.0019 (17)	−0.0111 (18)	−0.0067 (17)
C814	0.028 (2)	0.052 (2)	0.039 (2)	−0.0077 (18)	−0.0042 (18)	−0.0187 (18)
C815	0.044 (2)	0.0392 (19)	0.030 (2)	−0.0146 (18)	0.0013 (18)	−0.0098 (16)
C816	0.039 (2)	0.0336 (18)	0.029 (2)	−0.0060 (16)	−0.0039 (17)	−0.0059 (15)
C821	0.030 (2)	0.0304 (17)	0.0241 (19)	−0.0049 (15)	−0.0031 (15)	−0.0005 (14)
C822	0.038 (2)	0.049 (2)	0.058 (3)	−0.0133 (19)	0.012 (2)	−0.019 (2)
C823	0.057 (3)	0.054 (2)	0.068 (3)	−0.031 (2)	0.015 (2)	−0.024 (2)
C824	0.079 (3)	0.0247 (18)	0.039 (2)	−0.016 (2)	0.006 (2)	−0.0049 (16)
C825	0.053 (3)	0.035 (2)	0.055 (3)	0.0083 (19)	−0.004 (2)	−0.0081 (19)
C826	0.039 (2)	0.0377 (19)	0.051 (3)	−0.0009 (17)	−0.0081 (19)	−0.0072 (18)
C831	0.029 (2)	0.0312 (17)	0.0230 (19)	−0.0055 (15)	−0.0038 (15)	−0.0064 (14)
C832	0.036 (2)	0.0393 (19)	0.040 (2)	0.0035 (17)	−0.0034 (18)	−0.0003 (17)
C833	0.042 (2)	0.041 (2)	0.054 (3)	0.0042 (18)	−0.012 (2)	0.0024 (19)
C834	0.047 (3)	0.043 (2)	0.043 (3)	−0.0072 (19)	−0.023 (2)	0.0109 (18)
C835	0.050 (3)	0.049 (2)	0.024 (2)	−0.0144 (19)	−0.0103 (18)	0.0064 (17)
C836	0.032 (2)	0.0355 (18)	0.032 (2)	−0.0033 (16)	−0.0001 (17)	−0.0025 (16)

Geometric parameters (Å, º)

N11—C15	1.473 (4)	C23—C24	1.547 (6)
N11—C13	1.473 (4)	C23—H23A	0.99
N11—C11	1.481 (4)	C23—H23B	0.99
N12—C16	1.470 (4)	C24—H24A	0.99
N12—C14	1.470 (4)	C24—H24B	0.99
N12—C12	1.472 (4)	C25—C26	1.543 (6)
C11—C12	1.545 (4)	C25—H25A	0.99
C11—H11A	0.99	C25—H25B	0.99
C11—H11B	0.99	C26—H26A	0.99
C12—H12A	0.99	C26—H26B	0.99
C12—H12B	0.99	N31—C33	1.474 (10)
C13—C14	1.536 (4)	N31—C31	1.474 (10)
C13—H13A	0.99	N31—C35	1.474 (10)
C13—H13B	0.99	N32—C34	1.472 (10)
C14—H14A	0.99	N32—C32	1.472 (10)
C14—H14B	0.99	N32—C36	1.473 (10)
C15—C16	1.540 (4)	C31—C32	1.538 (9)
C15—H15A	0.99	C31—H31A	0.99
C15—H15B	0.99	C31—H31B	0.99
C16—H16A	0.99	C32—H32A	0.99
C16—H16B	0.99	C32—H32B	0.99
Si1—O1	1.637 (2)	C33—C34	1.539 (9)
Si1—C111	1.8897 (17)	C33—H33A	0.99
Si1—C131	1.8925 (15)	C33—H33B	0.99
Si1—C121	1.8929 (18)	C34—H34A	0.99
O1—H1	0.8400	C34—H34B	0.99
C111—C112	1.39	C35—C36	1.547 (9)
C111—C116	1.39	C35—H35A	0.99
C112—C113	1.39	C35—H35B	0.99
C112—H112	0.95	C36—H36A	0.99
C113—C114	1.39	C36—H36B	0.99
C113—H113	0.95	Si5—O5	1.631 (2)
C114—C115	1.39	Si5—C511	1.8872 (18)
C114—H114	0.95	Si5—C521	1.8979 (18)
C115—C116	1.39	Si5—C531	1.9003 (16)
C115—H115	0.95	O5—H5	0.8400
C116—H116	0.95	C511—C512	1.39
C121—C122	1.39	C511—C516	1.39
C121—C126	1.39	C512—C513	1.39
C122—C123	1.39	C512—H512	0.95
C122—H122	0.95	C513—C514	1.39
C123—C124	1.39	C513—H513	0.95
C123—H123	0.95	C514—C515	1.39
C124—C125	1.39	C514—H514	0.95
C124—H124	0.95	C515—C516	1.39
C125—C126	1.39	C515—H515	0.95
C125—H125	0.95	C516—H516	0.95
C126—H126	0.95	C521—C522	1.39
C131—C132	1.39	C521—C526	1.39
C131—C136	1.39	C522—C523	1.39
C132—C133	1.39	C522—H522	0.95
C132—H132	0.95	C523—C524	1.39
C133—C134	1.39	C523—H523	0.95
C133—H133	0.95	C524—C525	1.39
C134—C135	1.39	C524—H524	0.95
C134—H134	0.95	C525—C526	1.39
C135—C136	1.39	C525—H525	0.95
C135—H135	0.95	C526—H526	0.95
C136—H136	0.95	C531—C532	1.39
Si2—O2	1.631 (2)	C531—C536	1.39
Si2—C211	1.8906 (19)	C532—C533	1.39
Si2—C231	1.8957 (16)	C532—H532	0.95
Si2—C221	1.8999 (19)	C533—C534	1.39
O2—H2	0.8400	C533—H533	0.95
C211—C212	1.39	C534—C535	1.39
C211—C216	1.39	C534—H534	0.95
C212—C213	1.39	C535—C536	1.39
C212—H212	0.95	C535—H535	0.95
C213—C214	1.39	C536—H536	0.95
C213—H213	0.95	Si6—O6	1.632 (2)
C214—C215	1.39	Si6—C611	1.8888 (18)
C214—H214	0.95	Si6—C631	1.8899 (18)
C215—C216	1.39	Si6—C621	1.8996 (18)
C215—H215	0.95	O6—H6	0.8400
C216—H216	0.95	C611—C612	1.39
C221—C222	1.39	C611—C616	1.39
C221—C226	1.39	C612—C613	1.39
C222—C223	1.39	C612—H612	0.95
C222—H222	0.95	C613—C614	1.39
C223—C224	1.39	C613—H613	0.95
C223—H223	0.95	C614—C615	1.39
C224—C225	1.39	C614—H614	0.95
C224—H224	0.95	C615—C616	1.39
C225—C226	1.39	C615—H615	0.95
C225—H225	0.95	C616—H616	0.95
C226—H226	0.95	C621—C622	1.39
C231—C232	1.39	C621—C626	1.39
C231—C236	1.39	C622—C623	1.39
C232—C233	1.39	C622—H622	0.95
C232—H232	0.95	C623—C624	1.39
C233—C234	1.39	C623—H623	0.95
C233—H233	0.95	C624—C625	1.39
C234—C235	1.39	C624—H624	0.95
C234—H234	0.95	C625—C626	1.39
C235—C236	1.39	C625—H625	0.95
C235—H235	0.95	C626—H626	0.95
C236—H236	0.95	C631—C632	1.39
Si3—O3	1.634 (2)	C631—C636	1.39
Si3—C321	1.8918 (16)	C632—C633	1.39
Si3—C311	1.8965 (16)	C632—H632	0.95
Si3—C331	1.8982 (18)	C633—C634	1.39
O3—H3	0.8400	C633—H633	0.95
C311—C312	1.39	C634—C635	1.39
C311—C316	1.39	C634—H634	0.95
C312—C313	1.39	C635—C636	1.39
C312—H312	0.95	C635—H635	0.95
C313—C314	1.39	C636—H636	0.95
C313—H313	0.95	Si7—O7	1.635 (2)
C314—C315	1.39	Si7—C731	1.8929 (19)
C314—H314	0.95	Si7—C721	1.8944 (16)
C315—C316	1.39	Si7—C711	1.8959 (18)
C315—H315	0.95	O7—H7	0.8400
C316—H316	0.95	C711—C712	1.39
C321—C322	1.39	C711—C716	1.39
C321—C326	1.39	C712—C713	1.39
C322—C323	1.39	C712—H712	0.95
C322—H322	0.95	C713—C714	1.39
C323—C324	1.39	C713—H713	0.95
C323—H323	0.95	C714—C715	1.39
C324—C325	1.39	C714—H714	0.95
C324—H324	0.95	C715—C716	1.39
C325—C326	1.39	C715—H715	0.95
C325—H325	0.95	C716—H716	0.95
C326—H326	0.95	C721—C722	1.39
C331—C332	1.39	C721—C726	1.39
C331—C336	1.39	C722—C723	1.39
C332—C333	1.39	C722—H722	0.95
C332—H332	0.95	C723—C724	1.39
C333—C334	1.39	C723—H723	0.95
C333—H333	0.95	C724—C725	1.39
C334—C335	1.39	C724—H724	0.95
C334—H334	0.95	C725—C726	1.39
C335—C336	1.39	C725—H725	0.95
C335—H335	0.95	C726—H726	0.95
C336—H336	0.95	C731—C732	1.39
Si4—O4	1.633 (2)	C731—C736	1.39
Si4—C431	1.8884 (17)	C732—C733	1.39
Si4—C411	1.8976 (18)	C732—H732	0.95
Si4—C421	1.8992 (16)	C733—C734	1.39
O4—H4	0.8400	C733—H733	0.95
C411—C412	1.39	C734—C735	1.39
C411—C416	1.39	C734—H734	0.95
C412—C413	1.39	C735—C736	1.39
C412—H412	0.95	C735—H735	0.95
C413—C414	1.39	C736—H736	0.95
C413—H413	0.95	Si8—O8	1.626 (2)
C414—C415	1.39	Si8—C831	1.8915 (18)
C414—H414	0.95	Si8—C811	1.8960 (18)
C415—C416	1.39	Si8—C821	1.8966 (16)
C415—H415	0.95	O8—H8	0.8400
C416—H416	0.95	C811—C812	1.39
C421—C422	1.39	C811—C816	1.39
C421—C426	1.39	C812—C813	1.39
C422—C423	1.39	C812—H812	0.95
C422—H422	0.95	C813—C814	1.39
C423—C424	1.39	C813—H813	0.95
C423—H423	0.95	C814—C815	1.39
C424—C425	1.39	C814—H814	0.95
C424—H424	0.95	C815—C816	1.39
C425—C426	1.39	C815—H815	0.95
C425—H425	0.95	C816—H816	0.95
C426—H426	0.95	C821—C822	1.39
C431—C432	1.39	C821—C826	1.39
C431—C436	1.39	C822—C823	1.39
C432—C433	1.39	C822—H822	0.95
C432—H432	0.95	C823—C824	1.39
C433—C434	1.39	C823—H823	0.95
C433—H433	0.95	C824—C825	1.39
C434—C435	1.39	C824—H824	0.95
C434—H434	0.95	C825—C826	1.39
C435—C436	1.39	C825—H825	0.95
C435—H435	0.95	C826—H826	0.95
C436—H436	0.95	C831—C832	1.39
N21—C21	1.463 (6)	C831—C836	1.39
N21—C25	1.463 (7)	C832—C833	1.39
N21—C23	1.477 (6)	C832—H832	0.95
N22—C22	1.469 (6)	C833—C834	1.39
N22—C26	1.472 (7)	C833—H833	0.95
N22—C24	1.482 (7)	C834—C835	1.39
C21—C22	1.524 (6)	C834—H834	0.95
C21—H21A	0.99	C835—C836	1.39
C21—H21B	0.99	C835—H835	0.95
C22—H22A	0.99	C836—H836	0.95
C22—H22B	0.99
C15—N11—C13	108.7 (3)	N21—C23—H23B	109.8
C15—N11—C11	108.5 (3)	C24—C23—H23B	109.8
C13—N11—C11	108.3 (3)	H23A—C23—H23B	108.2
C16—N12—C14	108.3 (3)	N22—C24—C23	110.7 (4)
C16—N12—C12	109.0 (3)	N22—C24—H24A	109.5
C14—N12—C12	108.5 (3)	C23—C24—H24A	109.5
N11—C11—C12	110.1 (3)	N22—C24—H24B	109.5
N11—C11—H11A	109.6	C23—C24—H24B	109.5
C12—C11—H11A	109.6	H24A—C24—H24B	108.1
N11—C11—H11B	109.6	N21—C25—C26	110.3 (4)
C12—C11—H11B	109.6	N21—C25—H25A	109.6
H11A—C11—H11B	108.1	C26—C25—H25A	109.6
N12—C12—C11	109.7 (3)	N21—C25—H25B	109.6
N12—C12—H12A	109.7	C26—C25—H25B	109.6
C11—C12—H12A	109.7	H25A—C25—H25B	108.1
N12—C12—H12B	109.7	N22—C26—C25	110.5 (5)
C11—C12—H12B	109.7	N22—C26—H26A	109.6
H12A—C12—H12B	108.2	C25—C26—H26A	109.6
N11—C13—C14	109.9 (3)	N22—C26—H26B	109.6
N11—C13—H13A	109.7	C25—C26—H26B	109.6
C14—C13—H13A	109.7	H26A—C26—H26B	108.1
N11—C13—H13B	109.7	C33—N31—C31	107.1 (18)
C14—C13—H13B	109.7	C33—N31—C35	108.5 (17)
H13A—C13—H13B	108.2	C31—N31—C35	109.3 (19)
N12—C14—C13	110.5 (3)	C34—N32—C32	112.2 (19)
N12—C14—H14A	109.5	C34—N32—C36	110.2 (17)
C13—C14—H14A	109.5	C32—N32—C36	110 (2)
N12—C14—H14B	109.5	N31—C31—C32	112.2 (19)
C13—C14—H14B	109.5	N31—C31—H31A	109.2
H14A—C14—H14B	108.1	C32—C31—H31A	109.2
N11—C15—C16	110.0 (2)	N31—C31—H31B	109.2
N11—C15—H15A	109.7	C32—C31—H31B	109.2
C16—C15—H15A	109.7	H31A—C31—H31B	107.9
N11—C15—H15B	109.7	N32—C32—C31	107 (2)
C16—C15—H15B	109.7	N32—C32—H32A	110.4
H15A—C15—H15B	108.2	C31—C32—H32A	110.4
N12—C16—C15	110.2 (3)	N32—C32—H32B	110.4
N12—C16—H16A	109.6	C31—C32—H32B	110.4
C15—C16—H16A	109.6	H32A—C32—H32B	108.6
N12—C16—H16B	109.6	N31—C33—C34	112.5 (17)
C15—C16—H16B	109.6	N31—C33—H33A	109.1
H16A—C16—H16B	108.1	C34—C33—H33A	109.1
O1—Si1—C111	109.91 (11)	N31—C33—H33B	109.1
O1—Si1—C131	107.03 (11)	C34—C33—H33B	109.1
C111—Si1—C131	109.97 (10)	H33A—C33—H33B	107.8
O1—Si1—C121	110.17 (11)	N32—C34—C33	106.4 (19)
C111—Si1—C121	109.39 (10)	N32—C34—H34A	110.4
C131—Si1—C121	110.35 (10)	C33—C34—H34A	110.4
Si1—O1—H1	109.5	N32—C34—H34B	110.4
C112—C111—C116	120	C33—C34—H34B	110.5
C112—C111—Si1	119.93 (12)	H34A—C34—H34B	108.6
C116—C111—Si1	119.70 (12)	N31—C35—C36	109.3 (18)
C113—C112—C111	120	N31—C35—H35A	109.8
C113—C112—H112	120	C36—C35—H35A	109.8
C111—C112—H112	120	N31—C35—H35B	109.8
C112—C113—C114	120	C36—C35—H35B	109.8
C112—C113—H113	120	H35A—C35—H35B	108.3
C114—C113—H113	120	N32—C36—C35	109.2 (19)
C115—C114—C113	120	N32—C36—H36A	109.8
C115—C114—H114	120	C35—C36—H36A	109.8
C113—C114—H114	120	N32—C36—H36B	109.8
C114—C115—C116	120	C35—C36—H36B	109.8
C114—C115—H115	120	H36A—C36—H36B	108.3
C116—C115—H115	120	O5—Si5—C511	109.95 (11)
C115—C116—C111	120	O5—Si5—C521	109.89 (11)
C115—C116—H116	120	C511—Si5—C521	108.96 (10)
C111—C116—H116	120	O5—Si5—C531	107.03 (11)
C122—C121—C126	120	C511—Si5—C531	109.52 (10)
C122—C121—Si1	119.00 (12)	C521—Si5—C531	111.47 (10)
C126—C121—Si1	120.82 (12)	Si5—O5—H5	109.5
C123—C122—C121	120	C512—C511—C516	120
C123—C122—H122	120	C512—C511—Si5	118.62 (13)
C121—C122—H122	120	C516—C511—Si5	120.86 (13)
C124—C123—C122	120	C511—C512—C513	120
C124—C123—H123	120	C511—C512—H512	120
C122—C123—H123	120	C513—C512—H512	120
C125—C124—C123	120	C514—C513—C512	120
C125—C124—H124	120	C514—C513—H513	120
C123—C124—H124	120	C512—C513—H513	120
C124—C125—C126	120	C515—C514—C513	120
C124—C125—H125	120	C515—C514—H514	120
C126—C125—H125	120	C513—C514—H514	120
C125—C126—C121	120	C514—C515—C516	120
C125—C126—H126	120	C514—C515—H515	120
C121—C126—H126	120	C516—C515—H515	120
C132—C131—C136	120	C515—C516—C511	120
C132—C131—Si1	120.02 (11)	C515—C516—H516	120
C136—C131—Si1	119.93 (11)	C511—C516—H516	120
C133—C132—C131	120	C522—C521—C526	120
C133—C132—H132	120	C522—C521—Si5	119.14 (12)
C131—C132—H132	120	C526—C521—Si5	120.78 (12)
C132—C133—C134	120	C521—C522—C523	120
C132—C133—H133	120	C521—C522—H522	120
C134—C133—H133	120	C523—C522—H522	120
C135—C134—C133	120	C524—C523—C522	120
C135—C134—H134	120	C524—C523—H523	120
C133—C134—H134	120	C522—C523—H523	120
C134—C135—C136	120	C523—C524—C525	120
C134—C135—H135	120	C523—C524—H524	120
C136—C135—H135	120	C525—C524—H524	120
C135—C136—C131	120	C526—C525—C524	120
C135—C136—H136	120	C526—C525—H525	120
C131—C136—H136	120	C524—C525—H525	120
O2—Si2—C211	113.36 (12)	C525—C526—C521	120
O2—Si2—C231	109.60 (11)	C525—C526—H526	120
C211—Si2—C231	107.00 (10)	C521—C526—H526	120
O2—Si2—C221	106.12 (11)	C532—C531—C536	120
C211—Si2—C221	110.03 (10)	C532—C531—Si5	119.86 (12)
C231—Si2—C221	110.78 (11)	C536—C531—Si5	120.13 (12)
Si2—O2—H2	109.5	C531—C532—C533	120
C212—C211—C216	120	C531—C532—H532	120
C212—C211—Si2	118.11 (13)	C533—C532—H532	120
C216—C211—Si2	121.85 (13)	C534—C533—C532	120
C211—C212—C213	120	C534—C533—H533	120
C211—C212—H212	120	C532—C533—H533	120
C213—C212—H212	120	C533—C534—C535	120
C212—C213—C214	120	C533—C534—H534	120
C212—C213—H213	120	C535—C534—H534	120
C214—C213—H213	120	C536—C535—C534	120
C215—C214—C213	120	C536—C535—H535	120
C215—C214—H214	120	C534—C535—H535	120
C213—C214—H214	120	C535—C536—C531	120
C214—C215—C216	120	C535—C536—H536	120
C214—C215—H215	120	C531—C536—H536	120
C216—C215—H215	120	O6—Si6—C611	110.32 (12)
C215—C216—C211	120	O6—Si6—C631	105.23 (12)
C215—C216—H216	120	C611—Si6—C631	110.05 (11)
C211—C216—H216	120	O6—Si6—C621	112.13 (13)
C222—C221—C226	120	C611—Si6—C621	109.87 (10)
C222—C221—Si2	120.00 (13)	C631—Si6—C621	109.14 (10)
C226—C221—Si2	119.94 (13)	Si6—O6—H6	109.5
C223—C222—C221	120	C612—C611—C616	120
C223—C222—H222	120	C612—C611—Si6	115.76 (14)
C221—C222—H222	120	C616—C611—Si6	124.17 (14)
C222—C223—C224	120	C613—C612—C611	120
C222—C223—H223	120	C613—C612—H612	120
C224—C223—H223	120	C611—C612—H612	120
C225—C224—C223	120	C612—C613—C614	120
C225—C224—H224	120	C612—C613—H613	120
C223—C224—H224	120	C614—C613—H613	120
C224—C225—C226	120	C615—C614—C613	120
C224—C225—H225	120	C615—C614—H614	120
C226—C225—H225	120	C613—C614—H614	120
C225—C226—C221	120	C614—C615—C616	120
C225—C226—H226	120	C614—C615—H615	120
C221—C226—H226	120	C616—C615—H615	120
C232—C231—C236	120	C615—C616—C611	120
C232—C231—Si2	119.38 (11)	C615—C616—H616	120
C236—C231—Si2	120.59 (11)	C611—C616—H616	120
C233—C232—C231	120	C622—C621—C626	120
C233—C232—H232	120	C622—C621—Si6	119.42 (12)
C231—C232—H232	120	C626—C621—Si6	120.54 (12)
C232—C233—C234	120	C623—C622—C621	120
C232—C233—H233	120	C623—C622—H622	120
C234—C233—H233	120	C621—C622—H622	120
C233—C234—C235	120	C624—C623—C622	120
C233—C234—H234	120	C624—C623—H623	120
C235—C234—H234	120	C622—C623—H623	120
C236—C235—C234	120	C623—C624—C625	120
C236—C235—H235	120	C623—C624—H624	120
C234—C235—H235	120	C625—C624—H624	120
C235—C236—C231	120	C626—C625—C624	120
C235—C236—H236	120	C626—C625—H625	120
C231—C236—H236	120	C624—C625—H625	120
O3—Si3—C321	108.51 (11)	C625—C626—C621	120
O3—Si3—C311	107.38 (10)	C625—C626—H626	120
C321—Si3—C311	109.63 (9)	C621—C626—H626	120
O3—Si3—C331	111.11 (11)	C632—C631—C636	120
C321—Si3—C331	108.76 (10)	C632—C631—Si6	121.33 (12)
C311—Si3—C331	111.40 (10)	C636—C631—Si6	118.44 (12)
Si3—O3—H3	109.5	C631—C632—C633	120
C312—C311—C316	120	C631—C632—H632	120
C312—C311—Si3	116.45 (12)	C633—C632—H632	120
C316—C311—Si3	123.26 (12)	C634—C633—C632	120
C313—C312—C311	120	C634—C633—H633	120
C313—C312—H312	120	C632—C633—H633	120
C311—C312—H312	120	C635—C634—C633	120
C312—C313—C314	120	C635—C634—H634	120
C312—C313—H313	120	C633—C634—H634	120
C314—C313—H313	120	C636—C635—C634	120
C315—C314—C313	120	C636—C635—H635	120
C315—C314—H314	120	C634—C635—H635	120
C313—C314—H314	120	C635—C636—C631	120
C314—C315—C316	120	C635—C636—H636	120
C314—C315—H315	120	C631—C636—H636	120
C316—C315—H315	120	O7—Si7—C731	109.94 (12)
C315—C316—C311	120	O7—Si7—C721	106.46 (11)
C315—C316—H316	120	C731—Si7—C721	110.48 (10)
C311—C316—H316	120	O7—Si7—C711	109.56 (12)
C322—C321—C326	120	C731—Si7—C711	109.55 (11)
C322—C321—Si3	121.48 (12)	C721—Si7—C711	110.80 (10)
C326—C321—Si3	118.47 (12)	Si7—O7—H7	109.5
C323—C322—C321	120	C712—C711—C716	120
C323—C322—H322	120	C712—C711—Si7	120.10 (13)
C321—C322—H322	120	C716—C711—Si7	119.60 (13)
C324—C323—C322	120	C713—C712—C711	120
C324—C323—H323	120	C713—C712—H712	120
C322—C323—H323	120	C711—C712—H712	120
C323—C324—C325	120	C712—C713—C714	120
C323—C324—H324	120	C712—C713—H713	120
C325—C324—H324	120	C714—C713—H713	120
C326—C325—C324	120	C715—C714—C713	120
C326—C325—H325	120	C715—C714—H714	120
C324—C325—H325	120	C713—C714—H714	120
C325—C326—C321	120	C714—C715—C716	120
C325—C326—H326	120	C714—C715—H715	120
C321—C326—H326	120	C716—C715—H715	120
C332—C331—C336	120	C715—C716—C711	120
C332—C331—Si3	118.81 (11)	C715—C716—H716	120
C336—C331—Si3	121.19 (11)	C711—C716—H716	120
C333—C332—C331	120	C722—C721—C726	120
C333—C332—H332	120	C722—C721—Si7	120.56 (12)
C331—C332—H332	120	C726—C721—Si7	119.43 (12)
C334—C333—C332	120	C721—C722—C723	120
C334—C333—H333	120	C721—C722—H722	120
C332—C333—H333	120	C723—C722—H722	120
C335—C334—C333	120	C724—C723—C722	120
C335—C334—H334	120	C724—C723—H723	120
C333—C334—H334	120	C722—C723—H723	120
C334—C335—C336	120	C723—C724—C725	120
C334—C335—H335	120	C723—C724—H724	120
C336—C335—H335	120	C725—C724—H724	120
C335—C336—C331	120	C724—C725—C726	120
C335—C336—H336	120	C724—C725—H725	120
C331—C336—H336	120	C726—C725—H725	120
O4—Si4—C431	105.78 (11)	C725—C726—C721	120
O4—Si4—C411	111.93 (12)	C725—C726—H726	120
C431—Si4—C411	110.58 (10)	C721—C726—H726	120
O4—Si4—C421	110.08 (11)	C732—C731—C736	120
C431—Si4—C421	108.14 (10)	C732—C731—Si7	117.37 (13)
C411—Si4—C421	110.18 (10)	C736—C731—Si7	122.36 (13)
Si4—O4—H4	109.5	C733—C732—C731	120
C412—C411—C416	120	C733—C732—H732	120
C412—C411—Si4	119.36 (12)	C731—C732—H732	120
C416—C411—Si4	120.60 (12)	C732—C733—C734	120
C411—C412—C413	120	C732—C733—H733	120
C411—C412—H412	120	C734—C733—H733	120
C413—C412—H412	120	C735—C734—C733	120
C414—C413—C412	120	C735—C734—H734	120
C414—C413—H413	120	C733—C734—H734	120
C412—C413—H413	120	C736—C735—C734	120
C413—C414—C415	120	C736—C735—H735	120
C413—C414—H414	120	C734—C735—H735	120
C415—C414—H414	120	C735—C736—C731	120
C414—C415—C416	120	C735—C736—H736	120
C414—C415—H415	120	C731—C736—H736	120
C416—C415—H415	120	O8—Si8—C831	104.54 (11)
C415—C416—C411	120	O8—Si8—C811	113.24 (12)
C415—C416—H416	120	C831—Si8—C811	110.19 (10)
C411—C416—H416	120	O8—Si8—C821	110.22 (11)
C422—C421—C426	120	C831—Si8—C821	110.17 (10)
C422—C421—Si4	116.31 (12)	C811—Si8—C821	108.44 (10)
C426—C421—Si4	123.69 (12)	Si8—O8—H8	109.5
C421—C422—C423	120	C812—C811—C816	120
C421—C422—H422	120	C812—C811—Si8	118.88 (12)
C423—C422—H422	120	C816—C811—Si8	121.10 (12)
C422—C423—C424	120	C811—C812—C813	120
C422—C423—H423	120	C811—C812—H812	120
C424—C423—H423	120	C813—C812—H812	120
C425—C424—C423	120	C814—C813—C812	120
C425—C424—H424	120	C814—C813—H813	120
C423—C424—H424	120	C812—C813—H813	120
C426—C425—C424	120	C813—C814—C815	120
C426—C425—H425	120	C813—C814—H814	120
C424—C425—H425	120	C815—C814—H814	120
C425—C426—C421	120	C816—C815—C814	120
C425—C426—H426	120	C816—C815—H815	120
C421—C426—H426	120	C814—C815—H815	120
C432—C431—C436	120	C815—C816—C811	120
C432—C431—Si4	121.34 (12)	C815—C816—H816	120
C436—C431—Si4	118.65 (12)	C811—C816—H816	120
C431—C432—C433	120	C822—C821—C826	120
C431—C432—H432	120	C822—C821—Si8	116.26 (13)
C433—C432—H432	120	C826—C821—Si8	123.69 (13)
C434—C433—C432	120	C821—C822—C823	120
C434—C433—H433	120	C821—C822—H822	120
C432—C433—H433	120	C823—C822—H822	120
C433—C434—C435	120	C824—C823—C822	120
C433—C434—H434	120	C824—C823—H823	120
C435—C434—H434	120	C822—C823—H823	120
C436—C435—C434	120	C823—C824—C825	120
C436—C435—H435	120	C823—C824—H824	120
C434—C435—H435	120	C825—C824—H824	120
C435—C436—C431	120	C826—C825—C824	120
C435—C436—H436	120	C826—C825—H825	120
C431—C436—H436	120	C824—C825—H825	120
C21—N21—C25	109.0 (5)	C825—C826—C821	120
C21—N21—C23	109.2 (5)	C825—C826—H826	120
C25—N21—C23	108.5 (5)	C821—C826—H826	120
C22—N22—C26	108.9 (5)	C832—C831—C836	120
C22—N22—C24	107.8 (5)	C832—C831—Si8	119.91 (12)
C26—N22—C24	107.4 (5)	C836—C831—Si8	120.08 (12)
N21—C21—C22	110.1 (4)	C831—C832—C833	120
N21—C21—H21A	109.6	C831—C832—H832	120
C22—C21—H21A	109.6	C833—C832—H832	120
N21—C21—H21B	109.6	C834—C833—C832	120
C22—C21—H21B	109.6	C834—C833—H833	120
H21A—C21—H21B	108.2	C832—C833—H833	120
N22—C22—C21	111.5 (4)	C833—C834—C835	120
N22—C22—H22A	109.3	C833—C834—H834	120
C21—C22—H22A	109.3	C835—C834—H834	120
N22—C22—H22B	109.3	C836—C835—C834	120
C21—C22—H22B	109.3	C836—C835—H835	120
H22A—C22—H22B	108.0	C834—C835—H835	120
N21—C23—C24	109.5 (4)	C835—C836—C831	120
N21—C23—H23A	109.8	C835—C836—H836	120
C24—C23—H23A	109.8	C831—C836—H836	120
C15—N11—C11—C12	−53.5 (4)	C26—N22—C22—C21	55.5 (6)
C13—N11—C11—C12	64.2 (4)	C24—N22—C22—C21	−60.7 (6)
C16—N12—C12—C11	64.1 (4)	N21—C21—C22—N22	3.8 (7)
C14—N12—C12—C11	−53.6 (4)	C21—N21—C23—C24	−60.8 (6)
N11—C11—C12—N12	−9.1 (4)	C25—N21—C23—C24	58.0 (6)
C15—N11—C13—C14	63.8 (3)	C22—N22—C24—C23	56.4 (6)
C11—N11—C13—C14	−53.8 (3)	C26—N22—C24—C23	−60.8 (6)
C16—N12—C14—C13	−53.7 (4)	N21—C23—C24—N22	2.9 (6)
C12—N12—C14—C13	64.4 (3)	C21—N21—C25—C26	57.6 (6)
N11—C13—C14—N12	−8.9 (4)	C23—N21—C25—C26	−61.2 (5)
C13—N11—C15—C16	−53.4 (4)	C22—N22—C26—C25	−58.5 (6)
C11—N11—C15—C16	64.1 (4)	C24—N22—C26—C25	57.9 (6)
C14—N12—C16—C15	64.2 (4)	N21—C25—C26—N22	2.2 (6)
C12—N12—C16—C15	−53.7 (4)	C33—N31—C31—C32	61 (2)
N11—C15—C16—N12	−9.4 (4)	C35—N31—C31—C32	−56 (2)
O1—Si1—C111—C112	−83.63 (15)	C34—N32—C32—C31	−59 (2)
C131—Si1—C111—C112	33.95 (16)	C36—N32—C32—C31	64 (2)
C121—Si1—C111—C112	155.28 (13)	N31—C31—C32—N32	−5 (2)
O1—Si1—C111—C116	89.36 (16)	C31—N31—C33—C34	−57 (2)
C131—Si1—C111—C116	−153.07 (13)	C35—N31—C33—C34	61 (2)
C121—Si1—C111—C116	−31.73 (16)	C32—N32—C34—C33	63 (2)
Si1—C111—C112—C113	172.97 (17)	C36—N32—C34—C33	−60 (3)
Si1—C111—C116—C115	−172.98 (17)	N31—C33—C34—N32	−2 (2)
O1—Si1—C121—C122	18.57 (15)	C33—N31—C35—C36	−57 (2)
C111—Si1—C121—C122	139.50 (12)	C31—N31—C35—C36	59 (2)
C131—Si1—C121—C122	−99.39 (13)	C34—N32—C36—C35	63 (2)
O1—Si1—C121—C126	−166.30 (12)	C32—N32—C36—C35	−61 (2)
C111—Si1—C121—C126	−45.37 (14)	N31—C35—C36—N32	−2 (2)
C131—Si1—C121—C126	75.73 (14)	O5—Si5—C511—C512	−72.21 (16)
Si1—C121—C122—C123	175.17 (14)	C521—Si5—C511—C512	167.30 (12)
Si1—C121—C126—C125	−175.08 (15)	C531—Si5—C511—C512	45.14 (16)
O1—Si1—C131—C132	0.64 (16)	O5—Si5—C511—C516	99.54 (16)
C111—Si1—C131—C132	−118.71 (13)	C521—Si5—C511—C516	−20.95 (16)
C121—Si1—C131—C132	120.52 (13)	C531—Si5—C511—C516	−143.12 (14)
O1—Si1—C131—C136	−176.61 (13)	Si5—C511—C512—C513	171.82 (17)
C111—Si1—C131—C136	64.04 (15)	Si5—C511—C516—C515	−171.63 (17)
C121—Si1—C131—C136	−56.73 (14)	O5—Si5—C521—C522	5.60 (15)
Si1—C131—C132—C133	−177.25 (15)	C511—Si5—C521—C522	126.13 (12)
Si1—C131—C136—C135	177.25 (15)	C531—Si5—C521—C522	−112.89 (12)
O2—Si2—C211—C212	−63.38 (16)	O5—Si5—C521—C526	−177.69 (12)
C231—Si2—C211—C212	57.55 (15)	C511—Si5—C521—C526	−57.17 (14)
C221—Si2—C211—C212	177.97 (12)	C531—Si5—C521—C526	63.81 (14)
O2—Si2—C211—C216	118.98 (14)	Si5—C521—C522—C523	176.73 (15)
C231—Si2—C211—C216	−120.09 (13)	Si5—C521—C526—C525	−176.67 (15)
C221—Si2—C211—C216	0.33 (16)	O5—Si5—C531—C532	−1.80 (16)
Si2—C211—C212—C213	−177.69 (16)	C511—Si5—C531—C532	−120.96 (13)
Si2—C211—C216—C215	177.60 (16)	C521—Si5—C531—C532	118.39 (13)
O2—Si2—C221—C222	−18.35 (17)	O5—Si5—C531—C536	176.96 (13)
C211—Si2—C221—C222	104.65 (14)	C511—Si5—C531—C536	57.81 (15)
C231—Si2—C221—C222	−137.24 (13)	C521—Si5—C531—C536	−62.85 (14)
O2—Si2—C221—C226	164.38 (14)	Si5—C531—C532—C533	178.76 (16)
C211—Si2—C221—C226	−72.62 (15)	Si5—C531—C536—C535	−178.76 (16)
C231—Si2—C221—C226	45.49 (16)	O6—Si6—C611—C612	−52.12 (17)
Si2—C221—C222—C223	−177.27 (17)	C631—Si6—C611—C612	63.55 (15)
Si2—C221—C226—C225	177.27 (17)	C621—Si6—C611—C612	−176.25 (12)
O2—Si2—C231—C232	−7.35 (18)	O6—Si6—C611—C616	131.12 (16)
C211—Si2—C231—C232	−130.64 (13)	C631—Si6—C611—C616	−113.20 (15)
C221—Si2—C231—C232	109.42 (14)	C621—Si6—C611—C616	7.00 (17)
O2—Si2—C231—C236	174.33 (14)	Si6—C611—C612—C613	−176.90 (16)
C211—Si2—C231—C236	51.04 (16)	Si6—C611—C616—C615	176.62 (17)
C221—Si2—C231—C236	−68.90 (16)	O6—Si6—C621—C622	−63.24 (15)
Si2—C231—C232—C233	−178.32 (17)	C611—Si6—C621—C622	59.83 (14)
Si2—C231—C236—C235	178.30 (17)	C631—Si6—C621—C622	−179.43 (12)
O3—Si3—C311—C312	59.47 (14)	O6—Si6—C621—C626	114.26 (14)
C321—Si3—C311—C312	−58.22 (13)	C611—Si6—C621—C626	−122.67 (13)
C331—Si3—C311—C312	−178.66 (11)	C631—Si6—C621—C626	−1.92 (15)
O3—Si3—C311—C316	−114.34 (14)	Si6—C621—C622—C623	177.52 (15)
C321—Si3—C311—C316	127.97 (13)	Si6—C621—C626—C625	−177.49 (15)
C331—Si3—C311—C316	7.53 (15)	O6—Si6—C631—C632	−14.15 (17)
Si3—C311—C312—C313	−174.02 (14)	C611—Si6—C631—C632	−133.00 (13)
Si3—C311—C316—C315	173.60 (15)	C621—Si6—C631—C632	106.36 (14)
O3—Si3—C321—C322	7.72 (16)	O6—Si6—C631—C636	171.28 (14)
C311—Si3—C321—C322	124.70 (13)	C611—Si6—C631—C636	52.43 (15)
C331—Si3—C321—C322	−113.27 (13)	C621—Si6—C631—C636	−68.21 (14)
O3—Si3—C321—C326	−174.66 (12)	Si6—C631—C632—C633	−174.49 (17)
C311—Si3—C321—C326	−57.67 (14)	Si6—C631—C636—C635	174.64 (16)
C331—Si3—C321—C326	64.36 (13)	O7—Si7—C711—C712	80.91 (17)
C326—C321—C322—C323	0.0	C731—Si7—C711—C712	−158.42 (14)
Si3—C321—C322—C323	177.59 (15)	C721—Si7—C711—C712	−36.27 (17)
C321—C322—C323—C324	0.0	O7—Si7—C711—C716	−92.82 (17)
C322—C323—C324—C325	0.0	C731—Si7—C711—C716	27.86 (17)
C323—C324—C325—C326	0.0	C721—Si7—C711—C716	150.01 (14)
C324—C325—C326—C321	0.0	Si7—C711—C712—C713	−173.70 (18)
C322—C321—C326—C325	0.0	Si7—C711—C716—C715	173.73 (18)
Si3—C321—C326—C325	−177.66 (15)	O7—Si7—C721—C722	−2.13 (16)
O3—Si3—C331—C332	61.07 (14)	C731—Si7—C721—C722	−121.47 (13)
C321—Si3—C331—C332	−179.56 (11)	C711—Si7—C721—C722	116.93 (14)
C311—Si3—C331—C332	−58.61 (13)	O7—Si7—C721—C726	176.64 (13)
O3—Si3—C331—C336	−118.81 (13)	C731—Si7—C721—C726	57.30 (14)
C321—Si3—C331—C336	0.56 (15)	C711—Si7—C721—C726	−64.30 (15)
C311—Si3—C331—C336	121.51 (12)	Si7—C721—C722—C723	178.77 (16)
C336—C331—C332—C333	0.0	Si7—C721—C726—C725	−178.78 (16)
Si3—C331—C332—C333	−179.88 (15)	O7—Si7—C731—C732	−22.61 (15)
C331—C332—C333—C334	0.0	C721—Si7—C731—C732	94.61 (14)
C332—C333—C334—C335	0.0	C711—Si7—C731—C732	−143.05 (13)
C333—C334—C335—C336	0.0	O7—Si7—C731—C736	163.30 (13)
C334—C335—C336—C331	0.0	C721—Si7—C731—C736	−79.49 (15)
C332—C331—C336—C335	0.0	C711—Si7—C731—C736	42.85 (16)
Si3—C331—C336—C335	179.88 (15)	Si7—C731—C732—C733	−174.24 (15)
O4—Si4—C411—C412	55.96 (14)	Si7—C731—C736—C735	173.94 (16)
C431—Si4—C411—C412	173.63 (11)	O8—Si8—C811—C812	67.46 (15)
C421—Si4—C411—C412	−66.87 (14)	C831—Si8—C811—C812	−175.85 (11)
O4—Si4—C411—C416	−121.65 (13)	C821—Si8—C811—C812	−55.20 (14)
C431—Si4—C411—C416	−3.98 (14)	O8—Si8—C811—C816	−111.04 (14)
C421—Si4—C411—C416	115.52 (12)	C831—Si8—C811—C816	5.65 (15)
Si4—C411—C412—C413	−177.62 (15)	C821—Si8—C811—C816	126.30 (12)
Si4—C411—C416—C415	177.59 (15)	Si8—C811—C812—C813	−178.51 (15)
O4—Si4—C421—C422	57.89 (15)	Si8—C811—C816—C815	178.48 (15)
C431—Si4—C421—C422	−57.23 (13)	O8—Si8—C821—C822	48.40 (16)
C411—Si4—C421—C422	−178.19 (11)	C831—Si8—C821—C822	−66.46 (14)
O4—Si4—C421—C426	−122.68 (14)	C811—Si8—C821—C822	172.87 (12)
C431—Si4—C421—C426	122.20 (13)	O8—Si8—C821—C826	−134.20 (15)
C411—Si4—C421—C426	1.23 (15)	C831—Si8—C821—C826	110.94 (14)
Si4—C421—C422—C423	179.45 (14)	C811—Si8—C821—C826	−9.72 (17)
Si4—C421—C426—C425	−179.41 (15)	Si8—C821—C822—C823	177.51 (16)
O4—Si4—C431—C432	10.64 (16)	Si8—C821—C826—C825	−177.31 (17)
C411—Si4—C431—C432	−110.73 (13)	O8—Si8—C831—C832	14.16 (16)
C421—Si4—C431—C432	128.54 (12)	C811—Si8—C831—C832	−107.83 (13)
O4—Si4—C431—C436	−170.64 (13)	C821—Si8—C831—C832	132.57 (12)
C411—Si4—C431—C436	67.99 (13)	O8—Si8—C831—C836	−167.21 (13)
C421—Si4—C431—C436	−52.73 (14)	C811—Si8—C831—C836	70.80 (14)
Si4—C431—C432—C433	178.71 (15)	C821—Si8—C831—C836	−48.80 (15)
Si4—C431—C436—C435	−178.74 (15)	Si8—C831—C832—C833	178.63 (15)
C25—N21—C21—C22	−61.1 (6)	Si8—C831—C836—C835	−178.63 (15)
C23—N21—C21—C22	57.3 (6)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N11	0.84	1.82	2.642 (3)	165
O2—H2···O1	0.84	2.01	2.727 (3)	143
O3—H3···N12	0.84	1.82	2.642 (3)	165
O4—H4···O3	0.84	1.95	2.729 (3)	153
O5—H5···N21	0.84	1.81	2.620 (7)	164
O6—H6···O5	0.84	2.00	2.736 (3)	146
O7—H7···N22	0.84	1.82	2.633 (8)	164
O8—H8···O7	0.84	1.96	2.701 (3)	146

(II) Triphenylsilanol–1,2-bis(4-pyridyl)ethene (4/1)

Crystal data

2(C18H16OSi)·0.5(C12H10N2)	Z = 2
Mr = 643.91	F(000) = 680
Triclinic, P1	Dx = 1.209 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.6418 (2) Å	Cell parameters from 8105 reflections
b = 14.1263 (3) Å	θ = 2.7–27.5°
c = 16.3149 (4) Å	µ = 0.14 mm^−1
α = 64.5048 (10)°	T = 150 K
β = 84.1339 (10)°	Needle, colourless
γ = 79.7744 (13)°	0.30 × 0.28 × 0.25 mm
V = 1768.42 (7) Å^3

Data collection

Kappa-CCD diffractometer	8105 independent reflections
Radiation source: fine-focus sealed X-ray tube	6126 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
ϕ scans, and ω scans with κ offsets	θmax = 27.5°, θmin = 2.7°
Absorption correction: multi-scan DENZO-SMN (Otwinowski & Minor, 1997)	h = −11→11
Tmin = 0.914, Tmax = 0.967	k = −18→18
23113 measured reflections	l = −20→21

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)] = 0.041	H-atom parameters constrained
wR(F^2) = 0.109	w = 1/[σ^2(Fo^2) + (0.0408P)^2 + 0.511P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.001
8105 reflections	Δρmax = 0.23 e Å^−3
427 parameters	Δρmin = −0.31 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: 0.0085 (14)

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

	x	y	z	Uiso*/Ueq
Si1	1.25602 (5)	0.83996 (3)	0.33544 (3)	0.02649 (11)
O1	1.22717 (13)	0.73163 (9)	0.32973 (8)	0.0337 (3)
C11	1.35276 (18)	0.80798 (12)	0.44310 (11)	0.0303 (3)
C12	1.3031 (2)	0.73184 (14)	0.52529 (12)	0.0398 (4)
C13	1.3694 (3)	0.70886 (15)	0.60683 (13)	0.0485 (5)
C14	1.4885 (2)	0.76120 (17)	0.60830 (13)	0.0494 (5)
C15	1.5401 (2)	0.83705 (19)	0.52851 (15)	0.0557 (5)
C16	1.4732 (2)	0.86001 (16)	0.44681 (13)	0.0459 (5)
C21	1.38527 (18)	0.90859 (13)	0.23577 (11)	0.0299 (3)
C22	1.5094 (2)	0.85075 (15)	0.20771 (14)	0.0441 (4)
C23	1.6073 (2)	0.90033 (18)	0.13397 (15)	0.0537 (6)
C24	1.5835 (2)	1.00887 (18)	0.08693 (13)	0.0499 (5)
C25	1.4633 (2)	1.06782 (17)	0.11370 (14)	0.0543 (5)
C26	1.3649 (2)	1.01819 (15)	0.18701 (13)	0.0442 (4)
C31	1.06187 (17)	0.92450 (12)	0.33293 (10)	0.0273 (3)
C32	0.93892 (19)	0.92605 (14)	0.28272 (11)	0.0353 (4)
C33	0.7938 (2)	0.98740 (15)	0.28095 (13)	0.0425 (4)
C34	0.7686 (2)	1.04911 (14)	0.32853 (12)	0.0410 (4)
C35	0.8876 (2)	1.04966 (14)	0.37858 (12)	0.0407 (4)
C36	1.0331 (2)	0.98764 (13)	0.38090 (11)	0.0345 (4)
Si2	1.34097 (5)	0.56994 (3)	0.17754 (3)	0.02660 (11)
O2	1.32946 (15)	0.57573 (9)	0.27546 (7)	0.0383 (3)
C41	1.22668 (18)	0.69053 (12)	0.08986 (11)	0.0288 (3)
C42	1.13272 (19)	0.76852 (12)	0.11127 (12)	0.0333 (4)
C43	1.0430 (2)	0.85491 (13)	0.04548 (13)	0.0398 (4)
C44	1.0464 (2)	0.86470 (14)	−0.04230 (13)	0.0438 (4)
C45	1.1393 (2)	0.78933 (15)	−0.06551 (13)	0.0463 (5)
C46	1.2290 (2)	0.70341 (14)	0.00002 (12)	0.0385 (4)
C51	1.55043 (18)	0.55991 (13)	0.13621 (10)	0.0290 (3)
C52	1.6225 (2)	0.65121 (14)	0.10113 (12)	0.0376 (4)
C53	1.7819 (2)	0.64772 (17)	0.07729 (13)	0.0469 (5)
C54	1.8723 (2)	0.55248 (17)	0.08737 (13)	0.0474 (5)
C55	1.8041 (2)	0.46106 (16)	0.12119 (13)	0.0438 (4)
C56	1.64515 (19)	0.46483 (13)	0.14570 (11)	0.0340 (4)
C61	1.25879 (17)	0.44678 (12)	0.19975 (10)	0.0281 (3)
C62	1.16785 (19)	0.40060 (13)	0.27898 (11)	0.0347 (4)
C63	1.1056 (2)	0.30882 (15)	0.29803 (13)	0.0438 (4)
C64	1.1321 (2)	0.26162 (14)	0.23872 (14)	0.0464 (5)
C65	1.2190 (2)	0.30604 (14)	0.15973 (13)	0.0441 (4)
C66	1.2818 (2)	0.39796 (13)	0.14027 (12)	0.0349 (4)
N1	0.96066 (17)	0.65046 (12)	0.38187 (11)	0.0428 (4)
C2	0.8985 (2)	0.61646 (15)	0.33004 (13)	0.0431 (4)
C3	0.7615 (2)	0.57232 (14)	0.35297 (12)	0.0382 (4)
C4	0.68156 (18)	0.56102 (12)	0.43436 (11)	0.0302 (3)
C5	0.7455 (2)	0.59743 (17)	0.48797 (14)	0.0492 (5)
C6	0.8823 (2)	0.64126 (19)	0.45902 (15)	0.0559 (6)
C7	0.53653 (18)	0.51363 (12)	0.45961 (11)	0.0297 (3)
H1	1.1374	0.7175	0.3515	0.051*
H12	1.2215	0.6947	0.5254	0.048*
H13	1.3326	0.6569	0.6618	0.058*
H14	1.5348	0.7450	0.6641	0.059*
H15	1.6216	0.8739	0.5292	0.067*
H16	1.5103	0.9124	0.3922	0.055*
H22	1.5275	0.7757	0.2397	0.053*
H23	1.6911	0.8591	0.1160	0.064*
H24	1.6499	1.0428	0.0362	0.060*
H25	1.4472	1.1429	0.0820	0.065*
H26	1.2815	1.0602	0.2043	0.053*
H32	0.9551	0.8842	0.2491	0.042*
H33	0.7117	0.9868	0.2468	0.051*
H34	0.6693	1.0913	0.3270	0.049*
H35	0.8703	1.0923	0.4114	0.049*
H36	1.1142	0.9883	0.4157	0.041*
H2	1.3147	0.6395	0.2675	0.057*
H42	1.1298	0.7627	0.1716	0.040*
H43	0.9796	0.9071	0.0613	0.048*
H44	0.9848	0.9233	−0.0869	0.053*
H45	1.1420	0.7961	−0.1261	0.056*
H46	1.2933	0.6523	−0.0168	0.046*
H52	1.5611	0.7172	0.0934	0.045*
H53	1.8285	0.7107	0.0541	0.056*
H54	1.9812	0.5499	0.0711	0.057*
H55	1.8659	0.3957	0.1277	0.053*
H56	1.5998	0.4014	0.1695	0.041*
H62	1.1484	0.4326	0.3204	0.042*
H63	1.0446	0.2786	0.3523	0.053*
H64	1.0904	0.1985	0.2522	0.056*
H65	1.2363	0.2740	0.1183	0.053*
H66	1.3414	0.4280	0.0854	0.042*
H2A	0.9514	0.6229	0.2743	0.052*
H3	0.7217	0.5497	0.3133	0.046*
H5	0.6955	0.5922	0.5441	0.059*
H6	0.9234	0.6665	0.4964	0.067*
H7	0.4914	0.5015	0.4149	0.036*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0267 (2)	0.0265 (2)	0.0273 (2)	−0.00529 (16)	0.00243 (16)	−0.01249 (18)
O1	0.0320 (6)	0.0331 (6)	0.0419 (7)	−0.0102 (5)	0.0096 (5)	−0.0215 (5)
C11	0.0305 (8)	0.0281 (8)	0.0312 (8)	0.0009 (6)	0.0003 (6)	−0.0137 (7)
C12	0.0494 (10)	0.0336 (9)	0.0323 (9)	−0.0059 (8)	0.0008 (8)	−0.0105 (7)
C13	0.0670 (13)	0.0392 (10)	0.0293 (9)	0.0048 (9)	−0.0040 (9)	−0.0094 (8)
C14	0.0515 (11)	0.0545 (12)	0.0392 (10)	0.0185 (9)	−0.0183 (9)	−0.0232 (9)
C15	0.0457 (11)	0.0731 (15)	0.0544 (13)	−0.0085 (10)	−0.0143 (9)	−0.0300 (12)
C16	0.0421 (10)	0.0560 (12)	0.0393 (10)	−0.0143 (9)	−0.0040 (8)	−0.0164 (9)
C21	0.0278 (8)	0.0351 (8)	0.0281 (8)	−0.0086 (6)	0.0002 (6)	−0.0133 (7)
C22	0.0422 (10)	0.0436 (10)	0.0566 (12)	−0.0172 (8)	0.0173 (9)	−0.0304 (9)
C23	0.0490 (11)	0.0709 (15)	0.0651 (13)	−0.0309 (10)	0.0284 (10)	−0.0491 (12)
C24	0.0447 (10)	0.0781 (15)	0.0321 (9)	−0.0341 (10)	0.0094 (8)	−0.0210 (10)
C25	0.0428 (11)	0.0510 (12)	0.0447 (11)	−0.0130 (9)	0.0001 (9)	0.0047 (9)
C26	0.0353 (9)	0.0392 (10)	0.0417 (10)	−0.0044 (8)	0.0033 (8)	−0.0030 (8)
C31	0.0297 (8)	0.0264 (8)	0.0249 (7)	−0.0064 (6)	0.0038 (6)	−0.0102 (6)
C32	0.0346 (9)	0.0417 (10)	0.0336 (9)	−0.0046 (7)	0.0005 (7)	−0.0202 (8)
C33	0.0320 (9)	0.0493 (11)	0.0459 (11)	−0.0007 (8)	−0.0067 (8)	−0.0207 (9)
C34	0.0323 (9)	0.0409 (10)	0.0438 (10)	0.0022 (7)	0.0032 (7)	−0.0160 (8)
C35	0.0451 (10)	0.0373 (10)	0.0423 (10)	0.0004 (8)	0.0041 (8)	−0.0229 (8)
C36	0.0374 (9)	0.0342 (9)	0.0350 (9)	−0.0041 (7)	−0.0027 (7)	−0.0175 (7)
Si2	0.0300 (2)	0.0239 (2)	0.0250 (2)	−0.00242 (16)	0.00015 (16)	−0.01023 (17)
O2	0.0557 (7)	0.0288 (6)	0.0285 (6)	0.0015 (5)	−0.0027 (5)	−0.0130 (5)
C41	0.0295 (8)	0.0252 (8)	0.0297 (8)	−0.0071 (6)	−0.0004 (6)	−0.0087 (6)
C42	0.0320 (8)	0.0271 (8)	0.0360 (9)	−0.0056 (6)	0.0040 (7)	−0.0093 (7)
C43	0.0317 (8)	0.0268 (8)	0.0507 (11)	−0.0036 (7)	0.0010 (8)	−0.0077 (8)
C44	0.0415 (10)	0.0291 (9)	0.0484 (11)	−0.0070 (7)	−0.0149 (8)	−0.0011 (8)
C45	0.0631 (12)	0.0403 (10)	0.0325 (9)	−0.0114 (9)	−0.0126 (9)	−0.0087 (8)
C46	0.0494 (10)	0.0304 (9)	0.0348 (9)	−0.0039 (7)	−0.0048 (8)	−0.0129 (7)
C51	0.0311 (8)	0.0324 (8)	0.0248 (8)	−0.0045 (6)	−0.0030 (6)	−0.0128 (7)
C52	0.0392 (9)	0.0380 (9)	0.0389 (9)	−0.0114 (7)	0.0022 (7)	−0.0178 (8)
C53	0.0432 (10)	0.0580 (12)	0.0488 (11)	−0.0248 (9)	0.0062 (9)	−0.0264 (10)
C54	0.0287 (9)	0.0712 (14)	0.0480 (11)	−0.0096 (9)	−0.0013 (8)	−0.0296 (10)
C55	0.0311 (9)	0.0536 (11)	0.0448 (11)	0.0056 (8)	−0.0068 (8)	−0.0224 (9)
C56	0.0328 (8)	0.0352 (9)	0.0318 (9)	−0.0018 (7)	−0.0041 (7)	−0.0125 (7)
C61	0.0271 (7)	0.0242 (7)	0.0285 (8)	0.0009 (6)	−0.0032 (6)	−0.0082 (6)
C62	0.0321 (8)	0.0352 (9)	0.0323 (9)	−0.0040 (7)	0.0010 (7)	−0.0109 (7)
C63	0.0386 (9)	0.0414 (10)	0.0400 (10)	−0.0143 (8)	0.0025 (8)	−0.0040 (8)
C64	0.0499 (11)	0.0316 (9)	0.0529 (12)	−0.0145 (8)	−0.0072 (9)	−0.0089 (8)
C65	0.0579 (12)	0.0314 (9)	0.0455 (11)	−0.0083 (8)	−0.0046 (9)	−0.0172 (8)
C66	0.0419 (9)	0.0284 (8)	0.0323 (9)	−0.0055 (7)	−0.0002 (7)	−0.0111 (7)
N1	0.0390 (8)	0.0403 (8)	0.0528 (10)	−0.0166 (7)	0.0137 (7)	−0.0223 (7)
C2	0.0443 (10)	0.0432 (10)	0.0434 (10)	−0.0153 (8)	0.0156 (8)	−0.0199 (9)
C3	0.0402 (9)	0.0413 (10)	0.0358 (9)	−0.0138 (8)	0.0062 (7)	−0.0174 (8)
C4	0.0272 (7)	0.0272 (8)	0.0323 (8)	−0.0037 (6)	0.0014 (6)	−0.0097 (7)
C5	0.0456 (10)	0.0714 (14)	0.0468 (11)	−0.0300 (10)	0.0176 (9)	−0.0359 (10)
C6	0.0494 (11)	0.0791 (15)	0.0600 (13)	−0.0360 (11)	0.0185 (10)	−0.0430 (12)
C7	0.0263 (7)	0.0300 (8)	0.0316 (8)	−0.0041 (6)	−0.0014 (6)	−0.0116 (7)

Geometric parameters (Å, º)

Si1—O1	1.6359 (11)	C42—C43	1.396 (2)
Si1—C11	1.8630 (17)	C42—H42	0.95
Si1—C21	1.8676 (16)	C43—C44	1.376 (3)
Si1—C31	1.8717 (16)	C43—H43	0.95
O1—H1	0.84	C44—C45	1.379 (3)
C11—C12	1.394 (2)	C44—H44	0.95
C11—C16	1.396 (2)	C45—C46	1.391 (3)
C12—C13	1.386 (3)	C45—H45	0.95
C12—H12	0.95	C46—H46	0.95
C13—C14	1.378 (3)	C51—C56	1.398 (2)
C13—H13	0.95	C51—C52	1.398 (2)
C14—C15	1.375 (3)	C52—C53	1.391 (2)
C14—H14	0.95	C52—H52	0.95
C15—C16	1.391 (3)	C53—C54	1.382 (3)
C15—H15	0.95	C53—H53	0.95
C16—H16	0.95	C54—C55	1.382 (3)
C21—C26	1.390 (2)	C54—H54	0.95
C21—C22	1.392 (2)	C55—C56	1.389 (2)
C22—C23	1.390 (3)	C55—H55	0.95
C22—H22	0.95	C56—H56	0.95
C23—C24	1.375 (3)	C61—C66	1.395 (2)
C23—H23	0.95	C61—C62	1.401 (2)
C24—C25	1.370 (3)	C62—C63	1.390 (2)
C24—H24	0.95	C62—H62	0.95
C25—C26	1.388 (3)	C63—C64	1.375 (3)
C25—H25	0.95	C63—H63	0.95
C26—H26	0.95	C64—C65	1.376 (3)
C31—C36	1.397 (2)	C64—H64	0.95
C31—C32	1.398 (2)	C65—C66	1.393 (2)
C32—C33	1.387 (2)	C65—H65	0.95
C32—H32	0.95	C66—H66	0.95
C33—C34	1.375 (3)	N1—C2	1.330 (2)
C33—H33	0.95	N1—C6	1.333 (2)
C34—C35	1.380 (3)	C2—C3	1.380 (2)
C34—H34	0.95	C2—H2A	0.95
C35—C36	1.393 (2)	C3—C4	1.391 (2)
C35—H35	0.95	C3—H3	0.95
C36—H36	0.95	C4—C5	1.386 (2)
Si2—O2	1.6265 (12)	C4—C7	1.464 (2)
Si2—C41	1.8755 (16)	C5—C6	1.378 (3)
Si2—C51	1.8689 (16)	C5—H5	0.95
Si2—C61	1.8724 (16)	C6—H6	0.95
O2—H2	0.84	C7—C7^i	1.328 (3)
C41—C46	1.396 (2)	C7—H7	0.95
C41—C42	1.397 (2)
O1—Si1—C11	110.74 (7)	C43—C42—C41	121.11 (17)
O1—Si1—C21	107.01 (7)	C43—C42—H42	119.4
C11—Si1—C21	110.09 (7)	C41—C42—H42	119.4
O1—Si1—C31	109.19 (6)	C44—C43—C42	120.15 (17)
C11—Si1—C31	108.33 (7)	C44—C43—H43	119.9
C21—Si1—C31	111.49 (7)	C42—C43—H43	119.9
Si1—O1—H1	109.5	C43—C44—C45	119.95 (17)
C12—C11—C16	116.69 (16)	C43—C44—H44	120.0
C12—C11—Si1	120.56 (13)	C45—C44—H44	120.0
C16—C11—Si1	122.71 (13)	C44—C45—C46	119.87 (18)
C13—C12—C11	121.84 (18)	C44—C45—H45	120.1
C13—C12—H12	119.1	C46—C45—H45	120.1
C11—C12—H12	119.1	C45—C46—C41	121.57 (17)
C14—C13—C12	120.15 (18)	C45—C46—H46	119.2
C14—C13—H13	119.9	C41—C46—H46	119.2
C12—C13—H13	119.9	C56—C51—C52	117.19 (15)
C15—C14—C13	119.57 (18)	C56—C51—Si2	124.18 (12)
C15—C14—H14	120.2	C52—C51—Si2	118.35 (12)
C13—C14—H14	120.2	C53—C52—C51	121.55 (17)
C14—C15—C16	120.14 (19)	C53—C52—H52	119.2
C14—C15—H15	119.9	C51—C52—H52	119.2
C16—C15—H15	119.9	C54—C53—C52	119.86 (17)
C15—C16—C11	121.62 (18)	C54—C53—H53	120.1
C15—C16—H16	119.2	C52—C53—H53	120.1
C11—C16—H16	119.2	C55—C54—C53	119.90 (17)
C26—C21—C22	116.84 (16)	C55—C54—H54	120.0
C26—C21—Si1	122.56 (13)	C53—C54—H54	120.0
C22—C21—Si1	120.60 (13)	C54—C55—C56	119.99 (17)
C23—C22—C21	121.49 (18)	C54—C55—H55	120.0
C23—C22—H22	119.3	C56—C55—H55	120.0
C21—C22—H22	119.3	C55—C56—C51	121.49 (16)
C24—C23—C22	120.20 (19)	C55—C56—H56	119.3
C24—C23—H23	119.9	C51—C56—H56	119.3
C22—C23—H23	119.9	C66—C61—C62	117.24 (15)
C25—C24—C23	119.53 (17)	C66—C61—Si2	123.20 (12)
C25—C24—H24	120.2	C62—C61—Si2	119.56 (12)
C23—C24—H24	120.2	C63—C62—C61	121.19 (17)
C24—C25—C26	120.23 (19)	C63—C62—H62	119.4
C24—C25—H25	119.9	C61—C62—H62	119.4
C26—C25—H25	119.9	C64—C63—C62	120.26 (17)
C25—C26—C21	121.71 (18)	C64—C63—H63	119.9
C25—C26—H26	119.1	C62—C63—H63	119.9
C21—C26—H26	119.1	C63—C64—C65	119.84 (16)
C36—C31—C32	117.36 (14)	C63—C64—H64	120.1
C36—C31—Si1	121.98 (12)	C65—C64—H64	120.1
C32—C31—Si1	120.66 (12)	C64—C65—C66	120.17 (18)
C33—C32—C31	121.34 (16)	C64—C65—H65	119.9
C33—C32—H32	119.3	C66—C65—H65	119.9
C31—C32—H32	119.3	C65—C66—C61	121.28 (16)
C34—C33—C32	120.19 (16)	C65—C66—H66	119.4
C34—C33—H33	119.9	C61—C66—H66	119.4
C32—C33—H33	119.9	C2—N1—C6	116.55 (15)
C33—C34—C35	119.96 (16)	N1—C2—C3	123.45 (17)
C33—C34—H34	120.0	N1—C2—H2A	118.3
C35—C34—H34	120.0	C3—C2—H2A	118.3
C34—C35—C36	119.96 (16)	C2—C3—C4	119.84 (17)
C34—C35—H35	120.0	C2—C3—H3	120.1
C36—C35—H35	120.0	C4—C3—H3	120.1
C35—C36—C31	121.19 (16)	C5—C4—C3	116.69 (15)
C35—C36—H36	119.4	C5—C4—C7	123.03 (15)
C31—C36—H36	119.4	C3—C4—C7	120.27 (15)
O2—Si2—C51	110.39 (7)	C6—C5—C4	119.32 (17)
O2—Si2—C61	104.75 (7)	C6—C5—H5	120.3
C51—Si2—C61	110.51 (7)	C4—C5—H5	120.3
O2—Si2—C41	111.49 (7)	N1—C6—C5	124.14 (19)
C51—Si2—C41	108.22 (7)	N1—C6—H6	117.9
C61—Si2—C41	111.48 (7)	C5—C6—H6	117.9
Si2—O2—H2	109.5	C7^i—C7—C4	124.80 (19)
C46—C41—C42	117.34 (15)	C7^i—C7—H7	117.6
C46—C41—Si2	120.28 (12)	C4—C7—H7	117.6
C42—C41—Si2	122.35 (12)
O1—Si1—C11—C12	−43.47 (15)	C61—Si2—C41—C42	110.93 (13)
C21—Si1—C11—C12	−161.62 (13)	C46—C41—C42—C43	1.0 (2)
C31—Si1—C11—C12	76.24 (15)	Si2—C41—C42—C43	−176.91 (12)
O1—Si1—C11—C16	138.63 (14)	C41—C42—C43—C44	−0.2 (2)
C21—Si1—C11—C16	20.49 (17)	C42—C43—C44—C45	−0.4 (3)
C31—Si1—C11—C16	−101.66 (15)	C43—C44—C45—C46	0.2 (3)
C16—C11—C12—C13	0.1 (3)	C44—C45—C46—C41	0.6 (3)
Si1—C11—C12—C13	−177.87 (14)	C42—C41—C46—C45	−1.1 (2)
C11—C12—C13—C14	−0.4 (3)	Si2—C41—C46—C45	176.76 (14)
C12—C13—C14—C15	0.6 (3)	O2—Si2—C51—C56	98.13 (14)
C13—C14—C15—C16	−0.6 (3)	C61—Si2—C51—C56	−17.28 (16)
C14—C15—C16—C11	0.3 (3)	C41—Si2—C51—C56	−139.60 (13)
C12—C11—C16—C15	−0.1 (3)	O2—Si2—C51—C52	−75.62 (14)
Si1—C11—C16—C15	177.89 (16)	C61—Si2—C51—C52	168.97 (13)
O1—Si1—C21—C26	141.29 (14)	C41—Si2—C51—C52	46.64 (15)
C11—Si1—C21—C26	−98.29 (15)	C56—C51—C52—C53	−0.5 (2)
C31—Si1—C21—C26	21.96 (16)	Si2—C51—C52—C53	173.70 (14)
O1—Si1—C21—C22	−39.55 (16)	C51—C52—C53—C54	0.6 (3)
C11—Si1—C21—C22	80.86 (15)	C52—C53—C54—C55	−0.1 (3)
C31—Si1—C21—C22	−158.88 (14)	C53—C54—C55—C56	−0.5 (3)
C26—C21—C22—C23	−0.5 (3)	C54—C55—C56—C51	0.7 (3)
Si1—C21—C22—C23	−179.71 (15)	C52—C51—C56—C55	−0.1 (2)
C21—C22—C23—C24	0.2 (3)	Si2—C51—C56—C55	−173.95 (13)
C22—C23—C24—C25	0.5 (3)	O2—Si2—C61—C66	−163.63 (13)
C23—C24—C25—C26	−0.9 (3)	C51—Si2—C61—C66	−44.74 (15)
C24—C25—C26—C21	0.6 (3)	C41—Si2—C61—C66	75.66 (15)
C22—C21—C26—C25	0.1 (3)	O2—Si2—C61—C62	17.15 (14)
Si1—C21—C26—C25	179.29 (15)	C51—Si2—C61—C62	136.04 (13)
O1—Si1—C31—C36	146.05 (13)	C41—Si2—C61—C62	−103.57 (13)
C11—Si1—C31—C36	25.36 (15)	C66—C61—C62—C63	1.1 (2)
C21—Si1—C31—C36	−95.92 (14)	Si2—C61—C62—C63	−179.63 (13)
O1—Si1—C31—C32	−33.57 (14)	C61—C62—C63—C64	−0.2 (3)
C11—Si1—C31—C32	−154.25 (13)	C62—C63—C64—C65	−0.7 (3)
C21—Si1—C31—C32	84.46 (14)	C63—C64—C65—C66	0.7 (3)
C36—C31—C32—C33	−0.3 (2)	C64—C65—C66—C61	0.2 (3)
Si1—C31—C32—C33	179.30 (14)	C62—C61—C66—C65	−1.1 (2)
C31—C32—C33—C34	0.5 (3)	Si2—C61—C66—C65	179.70 (14)
C32—C33—C34—C35	−0.3 (3)	C6—N1—C2—C3	−0.8 (3)
C33—C34—C35—C36	−0.1 (3)	N1—C2—C3—C4	−0.4 (3)
C34—C35—C36—C31	0.3 (3)	C2—C3—C4—C5	1.0 (3)
C32—C31—C36—C35	−0.1 (2)	C2—C3—C4—C7	−179.59 (16)
Si1—C31—C36—C35	−179.69 (13)	C3—C4—C5—C6	−0.4 (3)
O2—Si2—C41—C46	176.44 (12)	C7—C4—C5—C6	−179.83 (19)
C51—Si2—C41—C46	54.86 (14)	C2—N1—C6—C5	1.4 (3)
C61—Si2—C41—C46	−66.87 (15)	C4—C5—C6—N1	−0.8 (4)
O2—Si2—C41—C42	−5.76 (15)	C5—C4—C7—C7^i	−10.1 (3)
C51—Si2—C41—C42	−127.34 (13)	C3—C4—C7—C7^i	170.5 (2)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1	0.84	1.85	2.653 (2)	159
O2—H2···O1	0.84	1.98	2.691 (2)	142

(III) Triphenylsilanol–N,N'-dimethylpiperazine (2/1)

Crystal data

C18H16OSi·0.5(C6H14N2)	F(000) = 712
Mr = 333.49	Dx = 1.252 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3291 reflections
a = 14.6528 (10) Å	θ = 2.8–25.5°
b = 8.1361 (4) Å	µ = 0.14 mm^−1
c = 16.7852 (10) Å	T = 150 K
β = 117.868 (4)°	Plate, colourless
V = 1769.00 (18) Å^3	0.44 × 0.30 × 0.04 mm
Z = 4

Data collection

Kappa-CCD diffractometer	2276 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.099
Graphite monochromator	θmax = 25.5°, θmin = 2.8°
ϕ scans, and ω scans with κ offsets	h = −17→17
15411 measured reflections	k = −9→9
3291 independent reflections	l = −20→20

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) = 0.133	w = 1/[σ^2(Fo^2) + (0.0714P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.004
3291 reflections	Δρmax = 0.24 e Å^−3
237 parameters	Δρmin = −0.40 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: 0.011 (3)

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

	x	y	z	Uiso*/Ueq
Si1	0.75554 (5)	0.84180 (7)	0.53089 (4)	0.0313 (2)
O1	0.71129 (13)	0.77748 (18)	0.59784 (11)	0.0377 (4)
C11	0.79164 (17)	0.6738 (2)	0.47673 (16)	0.0323 (5)
C12	0.85027 (18)	0.5440 (3)	0.52875 (17)	0.0389 (6)
C13	0.88142 (19)	0.4214 (3)	0.49045 (18)	0.0451 (6)
C14	0.8558 (2)	0.4267 (3)	0.40022 (19)	0.0463 (7)
C15	0.7982 (2)	0.5520 (3)	0.34725 (18)	0.0437 (6)
C16	0.76619 (18)	0.6739 (3)	0.38579 (16)	0.0371 (6)
C21	0.87396 (17)	0.9627 (2)	0.60015 (15)	0.0302 (5)
C22	0.87587 (19)	1.0727 (3)	0.66397 (15)	0.0385 (6)
C23	0.9627 (2)	1.1639 (3)	0.71579 (17)	0.0451 (6)
C24	1.0503 (2)	1.1485 (3)	0.70511 (17)	0.0438 (6)
C25	1.04989 (19)	1.0430 (3)	0.64162 (17)	0.0404 (6)
C26	0.96331 (17)	0.9509 (3)	0.58995 (16)	0.0346 (5)
C31	0.65816 (17)	0.9741 (3)	0.44083 (15)	0.0324 (5)
C32	0.55277 (18)	0.9617 (3)	0.41415 (17)	0.0403 (6)
C33	0.4805 (2)	1.0508 (3)	0.34309 (18)	0.0485 (7)
C34	0.5120 (2)	1.1564 (3)	0.29671 (17)	0.0479 (7)
C35	0.6158 (2)	1.1749 (3)	0.32381 (17)	0.0452 (6)
C36	0.68803 (19)	1.0854 (3)	0.39457 (16)	0.0391 (6)
N1	0.60535 (15)	0.4909 (2)	0.57194 (13)	0.0369 (5)
C1	0.57249 (19)	0.4123 (3)	0.48410 (16)	0.0404 (6)
C2	0.51628 (18)	0.5000 (3)	0.58999 (16)	0.0384 (6)
C3	0.6892 (2)	0.4008 (3)	0.64375 (18)	0.0487 (7)
H1	0.6768	0.6913	0.5767	0.057*
H12	0.8691	0.5396	0.5911	0.047*
H13	0.9210	0.3320	0.5265	0.054*
H14	0.8787	0.3419	0.3750	0.056*
H15	0.7803	0.5557	0.2851	0.052*
H16	0.7252	0.7612	0.3488	0.045*
H22	0.8163	1.0853	0.6721	0.037 (6)*
H23	0.9625	1.2382	0.7593	0.052 (7)*
H24	1.1104	1.2108	0.7416	0.056 (8)*
H25	1.1094	1.0331	0.6331	0.047 (7)*
H26	0.9642	0.8775	0.5463	0.040 (7)*
H32	0.5304	0.8896	0.4460	0.046 (7)*
H33	0.4092	1.0395	0.3261	0.068 (9)*
H34	0.4625	1.2161	0.2464	0.062 (8)*
H35	0.6377	1.2506	0.2931	0.052 (7)*
H36	0.7593	1.0997	0.4121	0.054 (8)*
H1A	0.5523	0.2972	0.4870	0.046 (7)*
H1B	0.6313	0.4101	0.4704	0.050 (7)*
H2A	0.5368	0.5585	0.6476	0.051 (7)*
H2B	0.4947	0.3874	0.5961	0.047 (7)*
H3A	0.6665	0.2887	0.6465	0.071 (9)*
H3B	0.7092	0.4562	0.7014	0.048 (7)*
H3C	0.7486	0.3969	0.6318	0.065 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0305 (4)	0.0300 (3)	0.0335 (4)	−0.0009 (3)	0.0149 (3)	0.0002 (3)
O1	0.0423 (10)	0.0340 (8)	0.0432 (10)	−0.0061 (7)	0.0253 (8)	−0.0014 (7)
C11	0.0280 (12)	0.0320 (12)	0.0359 (13)	−0.0056 (9)	0.0142 (10)	−0.0014 (9)
C12	0.0400 (14)	0.0352 (12)	0.0406 (15)	−0.0012 (10)	0.0182 (12)	−0.0003 (10)
C13	0.0419 (15)	0.0373 (13)	0.0574 (18)	0.0056 (11)	0.0242 (14)	0.0014 (12)
C14	0.0438 (15)	0.0381 (13)	0.0611 (19)	−0.0009 (11)	0.0278 (14)	−0.0122 (12)
C15	0.0441 (15)	0.0459 (14)	0.0436 (15)	−0.0047 (11)	0.0225 (13)	−0.0086 (11)
C16	0.0327 (13)	0.0360 (12)	0.0396 (14)	−0.0032 (10)	0.0144 (11)	−0.0017 (10)
C21	0.0317 (12)	0.0272 (11)	0.0299 (12)	0.0014 (9)	0.0129 (10)	0.0050 (9)
C22	0.0402 (14)	0.0397 (13)	0.0382 (14)	0.0002 (11)	0.0205 (12)	−0.0012 (10)
C23	0.0538 (17)	0.0413 (14)	0.0398 (15)	−0.0105 (12)	0.0216 (13)	−0.0124 (11)
C24	0.0421 (15)	0.0442 (14)	0.0377 (15)	−0.0107 (11)	0.0125 (12)	−0.0022 (11)
C25	0.0350 (14)	0.0448 (14)	0.0414 (15)	−0.0019 (11)	0.0178 (12)	0.0042 (11)
C26	0.0355 (13)	0.0323 (12)	0.0364 (14)	−0.0012 (10)	0.0172 (11)	−0.0007 (10)
C31	0.0306 (12)	0.0314 (11)	0.0332 (13)	−0.0011 (9)	0.0132 (10)	−0.0060 (9)
C32	0.0363 (14)	0.0337 (12)	0.0470 (16)	−0.0020 (10)	0.0162 (12)	−0.0070 (11)
C33	0.0324 (14)	0.0437 (15)	0.0555 (18)	0.0023 (11)	0.0089 (13)	−0.0129 (12)
C34	0.0496 (17)	0.0456 (14)	0.0354 (15)	0.0142 (12)	0.0089 (13)	−0.0036 (11)
C35	0.0550 (17)	0.0453 (14)	0.0379 (15)	0.0112 (12)	0.0238 (14)	0.0074 (11)
C36	0.0373 (14)	0.0410 (13)	0.0404 (14)	0.0054 (11)	0.0191 (12)	0.0026 (10)
N1	0.0383 (11)	0.0330 (10)	0.0416 (12)	−0.0041 (8)	0.0205 (10)	−0.0017 (8)
C1	0.0450 (15)	0.0346 (12)	0.0472 (16)	−0.0046 (11)	0.0261 (13)	−0.0063 (11)
C2	0.0449 (15)	0.0328 (12)	0.0403 (14)	−0.0051 (10)	0.0223 (12)	−0.0036 (10)
C3	0.0435 (16)	0.0442 (15)	0.0512 (18)	−0.0020 (12)	0.0162 (14)	0.0085 (12)

Geometric parameters (Å, º)

Si1—O1	1.6242 (16)	C25—H25	0.95
Si1—C11	1.850 (2)	C26—H26	0.95
Si1—C21	1.856 (2)	C31—C36	1.390 (3)
Si1—C31	1.861 (2)	C31—C32	1.396 (3)
O1—H1	0.84	C32—C33	1.374 (3)
C11—C12	1.384 (3)	C32—H32	0.95
C11—C16	1.392 (3)	C33—C34	1.376 (4)
C12—C13	1.375 (3)	C33—H33	0.95
C12—H12	0.95	C34—C35	1.378 (4)
C13—C14	1.380 (4)	C34—H34	0.95
C13—H13	0.95	C35—C36	1.373 (3)
C14—C15	1.356 (3)	C35—H35	0.95
C14—H14	0.95	C36—H36	0.95
C15—C16	1.380 (3)	N1—C3	1.454 (3)
C15—H15	0.95	N1—C1	1.467 (3)
C16—H16	0.95	N1—C2	1.473 (3)
C21—C22	1.386 (3)	C1—C2^i	1.495 (3)
C21—C26	1.401 (3)	C1—H1A	0.99
C22—C23	1.376 (3)	C1—H1B	0.99
C22—H22	0.95	C2—C1^i	1.495 (3)
C23—C24	1.382 (4)	C2—H2A	0.99
C23—H23	0.95	C2—H2B	0.99
C24—C25	1.366 (3)	C3—H3A	0.98
C24—H24	0.95	C3—H3B	0.98
C25—C26	1.376 (3)	C3—H3C	0.98
O1—Si1—C11	113.59 (9)	C25—C26—H26	119.2
O1—Si1—C21	107.23 (9)	C21—C26—H26	119.2
C11—Si1—C21	107.52 (10)	C36—C31—C32	117.2 (2)
O1—Si1—C31	110.24 (10)	C36—C31—Si1	120.56 (17)
C11—Si1—C31	108.35 (10)	C32—C31—Si1	122.13 (18)
C21—Si1—C31	109.85 (9)	C33—C32—C31	121.9 (2)
Si1—O1—H1	109.5	C33—C32—H32	119.1
C12—C11—C16	117.5 (2)	C31—C32—H32	119.1
C12—C11—Si1	119.30 (18)	C32—C33—C34	119.6 (2)
C16—C11—Si1	123.16 (17)	C32—C33—H33	120.2
C13—C12—C11	120.2 (2)	C34—C33—H33	120.2
C13—C12—H12	119.9	C33—C34—C35	119.5 (2)
C11—C12—H12	119.9	C33—C34—H34	120.3
C12—C13—C14	120.7 (2)	C35—C34—H34	120.3
C12—C13—H13	119.7	C36—C35—C34	120.9 (2)
C14—C13—H13	119.7	C36—C35—H35	119.6
C15—C14—C13	120.7 (2)	C34—C35—H35	119.6
C15—C14—H14	119.7	C35—C36—C31	120.8 (2)
C13—C14—H14	119.7	C35—C36—H36	119.6
C14—C15—C16	118.4 (2)	C31—C36—H36	119.6
C14—C15—H15	120.8	C3—N1—C1	111.52 (19)
C16—C15—H15	120.8	C3—N1—C2	109.98 (19)
C15—C16—C11	122.6 (2)	C1—N1—C2	108.83 (18)
C15—C16—H16	118.7	N1—C1—C2^i	112.16 (19)
C11—C16—H16	118.7	N1—C1—H1A	109.2
C22—C21—C26	117.2 (2)	C2^i—C1—H1A	109.2
C22—C21—Si1	120.10 (17)	N1—C1—H1B	109.2
C26—C21—Si1	122.73 (17)	C2^i—C1—H1B	109.2
C23—C22—C21	121.0 (2)	H1A—C1—H1B	107.9
C23—C22—H22	119.5	N1—C2—C1^i	111.3 (2)
C21—C22—H22	119.5	N1—C2—H2A	109.4
C22—C23—C24	120.7 (2)	C1^i—C2—H2A	109.4
C22—C23—H23	119.7	N1—C2—H2B	109.4
C24—C23—H23	119.7	C1^i—C2—H2B	109.4
C25—C24—C23	119.5 (2)	H2A—C2—H2B	108.0
C25—C24—H24	120.3	N1—C3—H3A	109.5
C23—C24—H24	120.3	N1—C3—H3B	109.5
C24—C25—C26	120.0 (2)	H3A—C3—H3B	109.5
C24—C25—H25	120.0	N1—C3—H3C	109.5
C26—C25—H25	120.0	H3A—C3—H3C	109.5
C25—C26—C21	121.6 (2)	H3B—C3—H3C	109.5
O1—Si1—C11—C12	−46.8 (2)	C22—C23—C24—C25	0.8 (4)
C21—Si1—C11—C12	71.71 (19)	C23—C24—C25—C26	−1.1 (4)
C31—Si1—C11—C12	−169.61 (17)	C24—C25—C26—C21	0.4 (3)
O1—Si1—C11—C16	135.91 (19)	C22—C21—C26—C25	0.7 (3)
C21—Si1—C11—C16	−105.62 (19)	Si1—C21—C26—C25	179.43 (17)
C31—Si1—C11—C16	13.1 (2)	O1—Si1—C31—C36	158.60 (17)
C16—C11—C12—C13	0.1 (3)	C11—Si1—C31—C36	−76.5 (2)
Si1—C11—C12—C13	−177.36 (18)	C21—Si1—C31—C36	40.7 (2)
C11—C12—C13—C14	0.7 (4)	O1—Si1—C31—C32	−24.2 (2)
C12—C13—C14—C15	−0.9 (4)	C11—Si1—C31—C32	100.69 (19)
C13—C14—C15—C16	0.2 (4)	C21—Si1—C31—C32	−142.13 (18)
C14—C15—C16—C11	0.7 (4)	C36—C31—C32—C33	2.3 (3)
C12—C11—C16—C15	−0.8 (3)	Si1—C31—C32—C33	−174.98 (18)
Si1—C11—C16—C15	176.55 (18)	C31—C32—C33—C34	−0.4 (4)
O1—Si1—C21—C22	−42.9 (2)	C32—C33—C34—C35	−1.8 (4)
C11—Si1—C21—C22	−165.43 (18)	C33—C34—C35—C36	2.1 (4)
C31—Si1—C21—C22	76.9 (2)	C34—C35—C36—C31	−0.2 (4)
O1—Si1—C21—C26	138.36 (18)	C32—C31—C36—C35	−2.0 (3)
C11—Si1—C21—C26	15.9 (2)	Si1—C31—C36—C35	175.34 (18)
C31—Si1—C21—C26	−101.85 (19)	C3—N1—C1—C2^i	177.9 (2)
C26—C21—C22—C23	−1.0 (3)	C2—N1—C1—C2^i	56.4 (3)
Si1—C21—C22—C23	−179.78 (17)	C3—N1—C2—C1^i	−178.35 (19)
C21—C22—C23—C24	0.3 (4)	C1—N1—C2—C1^i	−55.9 (2)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1	0.84	1.92	2.721 (2)	159

(IV) Triphenylsilanol–1,2-bis(4-pyridyl)ethane–water (2/1/1)

Crystal data

2(C18H16OSi)·C12H12N2·H2O	Z = 2
Mr = 755.05	F(000) = 800
Triclinic, P1	Dx = 1.218 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.7793 (4) Å	Cell parameters from 9333 reflections
b = 14.3503 (7) Å	θ = 2.6–27.5°
c = 16.8948 (6) Å	µ = 0.13 mm^−1
α = 76.612 (2)°	T = 150 K
β = 88.287 (2)°	Needle, colourless
γ = 83.816 (2)°	0.20 × 0.12 × 0.04 mm
V = 2058.58 (16) Å^3

Data collection

Kappa-CCD diffractometer	5498 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.074
Graphite monochromator	θmax = 27.5°, θmin = 2.6°
ϕ scans, and ω scans with κ offsets	h = −11→11
21083 measured reflections	k = −17→18
9333 independent reflections	l = −20→21

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)] = 0.059	H-atom parameters constrained
wR(F^2) = 0.155	w = 1/[σ^2(Fo^2) + (0.0609P)^2 + 0.2885P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.001
9333 reflections	Δρmax = 0.62 e Å^−3
499 parameters	Δρmin = −0.34 e Å^−3
2 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: 0.0072 (12)

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

	x	y	z	Uiso*/Ueq
Si1	0.52433 (8)	0.24613 (5)	0.59079 (4)	0.02904 (18)
O1	0.5169 (2)	0.36325 (13)	0.56200 (11)	0.0367 (4)
C111	0.6243 (3)	0.19076 (19)	0.51096 (14)	0.0298 (5)
C112	0.6967 (3)	0.2459 (2)	0.44412 (14)	0.0360 (6)
C113	0.7702 (3)	0.2030 (2)	0.38531 (16)	0.0426 (7)
C114	0.7741 (3)	0.1055 (2)	0.39232 (16)	0.0423 (7)
C115	0.7043 (3)	0.0488 (2)	0.45789 (15)	0.0382 (6)
C116	0.6299 (3)	0.09136 (19)	0.51628 (14)	0.0339 (6)
C121	0.6316 (3)	0.20997 (19)	0.68906 (14)	0.0305 (6)
C122	0.6893 (3)	0.2790 (2)	0.72304 (15)	0.0375 (6)
C123	0.7710 (3)	0.2521 (2)	0.79558 (17)	0.0492 (8)
C124	0.7980 (3)	0.1568 (2)	0.83523 (16)	0.0460 (7)
C125	0.7422 (3)	0.0867 (2)	0.80265 (15)	0.0426 (7)
C126	0.6600 (3)	0.1138 (2)	0.73064 (15)	0.0355 (6)
C131	0.3264 (3)	0.20780 (19)	0.60285 (15)	0.0321 (6)
C132	0.2277 (3)	0.2367 (2)	0.53566 (17)	0.0414 (7)
C133	0.0799 (3)	0.2111 (3)	0.5401 (2)	0.0522 (8)
C134	0.0265 (3)	0.1555 (3)	0.6113 (2)	0.0542 (8)
C135	0.1203 (3)	0.1263 (2)	0.67872 (19)	0.0494 (8)
C136	0.2677 (3)	0.1520 (2)	0.67402 (16)	0.0388 (6)
Si2	2.05355 (8)	0.23827 (5)	1.10365 (4)	0.02962 (18)
O2	1.9757 (2)	0.34885 (13)	1.09287 (10)	0.0359 (4)
C211	2.1800 (3)	0.22373 (19)	1.01507 (14)	0.0312 (6)
C212	2.1276 (3)	0.2621 (2)	0.93544 (15)	0.0371 (6)
C213	2.2196 (3)	0.2537 (2)	0.86851 (15)	0.0429 (7)
C214	2.3677 (3)	0.2082 (2)	0.88009 (16)	0.0411 (7)
C215	2.4213 (3)	0.1681 (2)	0.95788 (15)	0.0380 (6)
C216	2.3280 (3)	0.17587 (19)	1.02426 (15)	0.0340 (6)
C221	2.1711 (3)	0.21095 (19)	1.19844 (14)	0.0320 (6)
C222	2.3003 (3)	0.2593 (2)	1.20191 (16)	0.0407 (7)
C223	2.3853 (3)	0.2429 (2)	1.27234 (17)	0.0471 (8)
C224	2.3435 (4)	0.1777 (3)	1.34112 (17)	0.0524 (9)
C225	2.2177 (4)	0.1293 (3)	1.33965 (17)	0.0547 (8)
C226	2.1328 (3)	0.1454 (2)	1.26860 (15)	0.0429 (7)
C231	1.9017 (3)	0.15418 (19)	1.11481 (13)	0.0308 (6)
C232	1.7730 (3)	0.1641 (2)	1.16463 (15)	0.0364 (6)
C233	1.6600 (3)	0.1026 (2)	1.17419 (15)	0.0381 (6)
C234	1.6710 (3)	0.0290 (2)	1.13328 (15)	0.0376 (6)
C235	1.7958 (3)	0.0167 (2)	1.08381 (16)	0.0418 (7)
C236	1.9094 (3)	0.0781 (2)	1.07507 (15)	0.0374 (6)
N1	0.9126 (3)	0.5288 (2)	0.62437 (15)	0.0519 (7)
N2	1.7541 (3)	0.40720 (18)	0.97469 (15)	0.0478 (6)
C12	1.0272 (4)	0.4664 (3)	0.6117 (2)	0.0667 (10)
C13	1.1648 (4)	0.4504 (3)	0.65023 (19)	0.0601 (9)
C14	1.1904 (3)	0.5004 (2)	0.70790 (17)	0.0451 (7)
C15	1.0709 (3)	0.5659 (2)	0.72361 (17)	0.0455 (7)
C16	0.9361 (3)	0.5779 (2)	0.67981 (18)	0.0480 (7)
C17	1.3460 (4)	0.4816 (3)	0.75043 (19)	0.0563 (8)
C22	1.6193 (3)	0.3739 (2)	0.99711 (18)	0.0471 (7)
C23	1.4873 (4)	0.4011 (2)	0.95276 (18)	0.0502 (8)
C24	1.4884 (3)	0.4670 (2)	0.87972 (18)	0.0476 (7)
C25	1.6302 (4)	0.4990 (2)	0.85307 (19)	0.0555 (8)
C26	1.7571 (4)	0.4695 (2)	0.90248 (19)	0.0520 (8)
C27	1.3394 (4)	0.5038 (2)	0.83193 (19)	0.0546 (8)
O3	0.60818 (12)	0.53947 (7)	0.57699 (12)	0.0513 (5)
H1	0.4785	0.3813	0.5167	0.095 (14)*
H112	0.6956	0.3133	0.4387	0.043*
H113	0.8180	0.2415	0.3400	0.051*
H114	0.8248	0.0770	0.3520	0.051*
H115	0.7073	−0.0187	0.4629	0.046*
H116	0.5816	0.0522	0.5610	0.041*
H122	0.6726	0.3451	0.6963	0.045*
H123	0.8085	0.3001	0.8179	0.059*
H124	0.8544	0.1390	0.8845	0.055*
H125	0.7602	0.0206	0.8296	0.051*
H126	0.6220	0.0654	0.7090	0.043*
H132	0.2633	0.2746	0.4862	0.050*
H133	0.0149	0.2318	0.4941	0.063*
H134	−0.0748	0.1373	0.6140	0.065*
H135	0.0833	0.0887	0.7280	0.059*
H136	0.3315	0.1311	0.7206	0.047*
H2	1.8997	0.3574	1.0640	0.073 (12)*
H212	2.0271	0.2944	0.9270	0.044*
H213	2.1813	0.2792	0.8150	0.052*
H214	2.4322	0.2045	0.8345	0.049*
H215	2.5216	0.1354	0.9659	0.046*
H216	2.3658	0.1478	1.0775	0.041*
H222	2.3301	0.3043	1.1549	0.049*
H223	2.4725	0.2764	1.2733	0.057*
H224	2.4019	0.1664	1.3895	0.063*
H225	2.1884	0.0849	1.3871	0.066*
H226	2.0467	0.1107	1.2681	0.051*
H232	1.7634	0.2147	1.1926	0.044*
H233	1.5747	0.1108	1.2088	0.046*
H234	1.5928	−0.0130	1.1393	0.045*
H235	1.8038	−0.0338	1.0558	0.050*
H236	1.9952	0.0684	1.0412	0.045*
H12	1.0126	0.4299	0.5728	0.080*
H13	1.2427	0.4050	0.6373	0.072*
H15	1.0815	0.6016	0.7636	0.055*
H16	0.8561	0.6239	0.6901	0.058*
H17A	1.3853	0.4131	0.7561	0.068*
H17B	1.4193	0.5212	0.7159	0.068*
H22	1.6146	0.3280	1.0474	0.056*
H23	1.3953	0.3744	0.9726	0.060*
H25	1.6392	0.5410	0.8011	0.067*
H26	1.8510	0.4947	0.8843	0.062*
H27A	1.2530	0.4740	0.8632	0.065*
H27B	1.3199	0.5744	0.8256	0.065*
H31	0.5918	0.4774	0.5763	0.078*
H32	0.7117	0.5332	0.5870	0.078*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0284 (4)	0.0306 (4)	0.0281 (3)	−0.0008 (3)	−0.0021 (3)	−0.0075 (3)
O1	0.0433 (11)	0.0295 (11)	0.0372 (10)	−0.0020 (8)	−0.0092 (8)	−0.0071 (8)
C111	0.0262 (12)	0.0354 (15)	0.0281 (12)	−0.0023 (11)	−0.0054 (10)	−0.0075 (11)
C112	0.0358 (14)	0.0392 (17)	0.0335 (13)	−0.0082 (12)	−0.0018 (11)	−0.0074 (12)
C113	0.0405 (16)	0.054 (2)	0.0352 (14)	−0.0114 (14)	0.0072 (12)	−0.0122 (13)
C114	0.0393 (15)	0.056 (2)	0.0340 (13)	−0.0025 (14)	0.0037 (11)	−0.0172 (14)
C115	0.0424 (15)	0.0353 (16)	0.0361 (14)	0.0015 (12)	−0.0020 (12)	−0.0089 (12)
C116	0.0361 (14)	0.0349 (16)	0.0296 (12)	−0.0014 (11)	0.0000 (10)	−0.0061 (11)
C121	0.0259 (12)	0.0349 (15)	0.0305 (12)	−0.0016 (11)	0.0030 (10)	−0.0084 (11)
C122	0.0388 (15)	0.0386 (16)	0.0366 (13)	−0.0012 (12)	−0.0047 (11)	−0.0122 (12)
C123	0.0521 (18)	0.054 (2)	0.0447 (16)	−0.0041 (15)	−0.0154 (14)	−0.0172 (15)
C124	0.0449 (17)	0.059 (2)	0.0319 (13)	0.0004 (15)	−0.0093 (12)	−0.0078 (14)
C125	0.0404 (15)	0.0461 (19)	0.0365 (14)	0.0029 (13)	−0.0033 (12)	−0.0026 (13)
C126	0.0337 (14)	0.0396 (17)	0.0328 (13)	−0.0020 (12)	0.0006 (11)	−0.0081 (12)
C131	0.0299 (13)	0.0330 (15)	0.0359 (13)	0.0003 (11)	−0.0021 (10)	−0.0142 (12)
C132	0.0327 (14)	0.0480 (19)	0.0432 (15)	0.0000 (13)	−0.0052 (12)	−0.0109 (14)
C133	0.0325 (15)	0.066 (2)	0.0612 (19)	0.0026 (15)	−0.0140 (14)	−0.0224 (17)
C134	0.0278 (15)	0.070 (2)	0.072 (2)	−0.0065 (14)	0.0046 (14)	−0.0315 (19)
C135	0.0352 (16)	0.063 (2)	0.0530 (17)	−0.0116 (14)	0.0128 (13)	−0.0186 (16)
C136	0.0339 (14)	0.0489 (18)	0.0352 (13)	−0.0053 (13)	0.0032 (11)	−0.0133 (13)
Si2	0.0297 (4)	0.0331 (4)	0.0266 (3)	−0.0010 (3)	−0.0017 (3)	−0.0089 (3)
O2	0.0352 (10)	0.0359 (11)	0.0378 (9)	0.0018 (8)	−0.0081 (8)	−0.0126 (8)
C211	0.0315 (13)	0.0333 (15)	0.0303 (12)	−0.0058 (11)	−0.0010 (10)	−0.0087 (11)
C212	0.0343 (14)	0.0447 (17)	0.0323 (13)	−0.0053 (12)	−0.0016 (11)	−0.0083 (12)
C213	0.0505 (17)	0.0492 (19)	0.0288 (13)	−0.0096 (14)	0.0006 (12)	−0.0062 (13)
C214	0.0453 (16)	0.0461 (18)	0.0367 (14)	−0.0153 (13)	0.0124 (12)	−0.0160 (13)
C215	0.0332 (14)	0.0419 (17)	0.0416 (14)	−0.0046 (12)	0.0050 (11)	−0.0151 (13)
C216	0.0350 (14)	0.0362 (16)	0.0318 (13)	−0.0036 (11)	−0.0016 (11)	−0.0096 (12)
C221	0.0315 (13)	0.0349 (15)	0.0313 (12)	0.0031 (11)	−0.0003 (10)	−0.0138 (11)
C222	0.0400 (15)	0.0458 (18)	0.0377 (14)	0.0012 (13)	−0.0049 (12)	−0.0146 (13)
C223	0.0404 (16)	0.058 (2)	0.0475 (16)	0.0071 (14)	−0.0134 (13)	−0.0257 (16)
C224	0.0491 (18)	0.069 (2)	0.0399 (16)	0.0214 (16)	−0.0178 (14)	−0.0243 (16)
C225	0.057 (2)	0.068 (2)	0.0315 (14)	0.0117 (17)	−0.0060 (13)	−0.0039 (15)
C226	0.0417 (16)	0.0489 (19)	0.0351 (14)	0.0044 (13)	−0.0036 (12)	−0.0075 (13)
C231	0.0304 (13)	0.0356 (15)	0.0247 (11)	0.0013 (11)	−0.0031 (10)	−0.0053 (11)
C232	0.0377 (14)	0.0376 (16)	0.0349 (13)	0.0006 (12)	0.0033 (11)	−0.0128 (12)
C233	0.0348 (14)	0.0407 (17)	0.0371 (13)	−0.0004 (12)	0.0063 (11)	−0.0075 (12)
C234	0.0332 (14)	0.0370 (16)	0.0426 (14)	−0.0076 (12)	0.0025 (11)	−0.0075 (12)
C235	0.0408 (15)	0.0423 (18)	0.0467 (15)	−0.0065 (13)	0.0091 (12)	−0.0197 (14)
C236	0.0329 (14)	0.0436 (17)	0.0385 (14)	−0.0067 (12)	0.0096 (11)	−0.0151 (13)
N1	0.0519 (15)	0.0523 (17)	0.0527 (15)	0.0056 (13)	−0.0205 (12)	−0.0168 (13)
N2	0.0458 (14)	0.0408 (15)	0.0549 (15)	0.0032 (12)	−0.0163 (12)	−0.0088 (12)
C12	0.081 (3)	0.065 (2)	0.058 (2)	0.019 (2)	−0.0220 (18)	−0.0310 (19)
C13	0.056 (2)	0.068 (2)	0.0564 (19)	0.0203 (17)	−0.0065 (16)	−0.0262 (18)
C14	0.0375 (15)	0.0454 (19)	0.0456 (16)	0.0007 (13)	−0.0066 (12)	0.0019 (14)
C15	0.0552 (18)	0.0429 (18)	0.0408 (15)	−0.0082 (14)	−0.0077 (13)	−0.0122 (13)
C16	0.0422 (16)	0.0463 (19)	0.0542 (17)	0.0078 (14)	−0.0061 (14)	−0.0138 (15)
C17	0.0525 (19)	0.063 (2)	0.0526 (18)	−0.0011 (16)	0.0006 (15)	−0.0137 (16)
C22	0.0511 (18)	0.0399 (18)	0.0479 (16)	−0.0003 (14)	−0.0142 (14)	−0.0055 (14)
C23	0.0498 (18)	0.0393 (18)	0.0590 (18)	−0.0106 (14)	−0.0142 (14)	−0.0019 (15)
C24	0.0485 (17)	0.0415 (18)	0.0516 (17)	−0.0062 (14)	−0.0158 (14)	−0.0057 (14)
C25	0.066 (2)	0.046 (2)	0.0501 (17)	−0.0095 (16)	−0.0190 (15)	0.0024 (15)
C26	0.0481 (18)	0.046 (2)	0.0598 (19)	−0.0031 (15)	−0.0088 (15)	−0.0072 (16)
C27	0.0536 (19)	0.053 (2)	0.0573 (19)	0.0012 (16)	−0.0034 (15)	−0.0151 (16)
O3	0.0546 (13)	0.0414 (13)	0.0573 (12)	−0.0044 (10)	−0.0230 (10)	−0.0073 (10)

Geometric parameters (Å, º)

Si1—O1	1.6326 (19)	C216—H216	0.95
Si1—C131	1.870 (3)	C221—C226	1.390 (4)
Si1—C111	1.870 (2)	C221—C222	1.400 (4)
Si1—C121	1.871 (2)	C222—C223	1.384 (3)
O1—H1	0.82	C222—H222	0.95
C111—C112	1.398 (3)	C223—C224	1.380 (5)
C111—C116	1.404 (4)	C223—H223	0.95
C112—C113	1.393 (4)	C224—C225	1.370 (5)
C112—H112	0.95	C224—H224	0.95
C113—C114	1.373 (4)	C225—C226	1.392 (4)
C113—H113	0.95	C225—H225	0.95
C114—C115	1.384 (4)	C226—H226	0.95
C114—H114	0.95	C231—C236	1.403 (3)
C115—C116	1.389 (3)	C231—C232	1.404 (3)
C115—H115	0.95	C232—C233	1.379 (4)
C116—H116	0.95	C232—H232	0.95
C121—C126	1.396 (4)	C233—C234	1.385 (4)
C121—C122	1.398 (3)	C233—H233	0.95
C122—C123	1.393 (4)	C234—C235	1.379 (4)
C122—H122	0.95	C234—H234	0.95
C123—C124	1.374 (4)	C235—C236	1.382 (4)
C123—H123	0.95	C235—H235	0.95
C124—C125	1.391 (4)	C236—H236	0.95
C124—H124	0.95	N1—C12	1.320 (4)
C125—C126	1.387 (3)	N1—C16	1.329 (4)
C125—H125	0.95	N2—C22	1.336 (4)
C126—H126	0.95	N2—C26	1.337 (4)
C131—C136	1.400 (4)	C12—C13	1.362 (4)
C131—C132	1.405 (3)	C12—H12	0.95
C132—C133	1.381 (4)	C13—C14	1.373 (4)
C132—H132	0.95	C13—H13	0.95
C133—C134	1.381 (5)	C14—C15	1.393 (4)
C133—H133	0.95	C14—C17	1.532 (4)
C134—C135	1.382 (4)	C15—C16	1.389 (4)
C134—H134	0.95	C15—H15	0.95
C135—C136	1.379 (4)	C16—H16	0.95
C135—H135	0.95	C17—C27	1.482 (4)
C136—H136	0.95	C17—H17A	0.99
Si2—O2	1.6303 (19)	C17—H17B	0.99
Si2—C231	1.869 (3)	C22—C23	1.369 (4)
Si2—C221	1.872 (2)	C22—H22	0.95
Si2—C211	1.874 (2)	C23—C24	1.370 (4)
O2—H2	0.82	C23—H23	0.95
C211—C216	1.398 (3)	C24—C25	1.399 (4)
C211—C212	1.402 (3)	C24—C27	1.536 (4)
C212—C213	1.390 (4)	C25—C26	1.381 (4)
C212—H212	0.95	C25—H25	0.95
C213—C214	1.389 (4)	C26—H26	0.95
C213—H213	0.95	C27—H27A	0.99
C214—C215	1.381 (4)	C27—H27B	0.99
C214—H214	0.95	O3—H31	0.92
C215—C216	1.387 (3)	O3—H32	0.92
C215—H215	0.95
O1—Si1—C131	110.22 (11)	C215—C216—H216	119.1
O1—Si1—C111	109.47 (11)	C211—C216—H216	119.1
C131—Si1—C111	107.59 (10)	C226—C221—C222	117.1 (2)
O1—Si1—C121	106.73 (11)	C226—C221—Si2	122.4 (2)
C131—Si1—C121	111.60 (11)	C222—C221—Si2	120.5 (2)
C111—Si1—C121	111.24 (10)	C223—C222—C221	121.4 (3)
Si1—O1—H1	109.5	C223—C222—H222	119.3
C112—C111—C116	117.4 (2)	C221—C222—H222	119.3
C112—C111—Si1	121.8 (2)	C224—C223—C222	120.0 (3)
C116—C111—Si1	120.83 (18)	C224—C223—H223	120.0
C113—C112—C111	120.8 (3)	C222—C223—H223	120.0
C113—C112—H112	119.6	C225—C224—C223	120.0 (3)
C111—C112—H112	119.6	C225—C224—H224	120.0
C114—C113—C112	120.5 (3)	C223—C224—H224	120.0
C114—C113—H113	119.7	C224—C225—C226	120.0 (3)
C112—C113—H113	119.7	C224—C225—H225	120.0
C113—C114—C115	120.2 (2)	C226—C225—H225	120.0
C113—C114—H114	119.9	C221—C226—C225	121.5 (3)
C115—C114—H114	119.9	C221—C226—H226	119.2
C114—C115—C116	119.4 (3)	C225—C226—H226	119.2
C114—C115—H115	120.3	C236—C231—C232	116.3 (2)
C116—C115—H115	120.3	C236—C231—Si2	122.70 (19)
C115—C116—C111	121.7 (2)	C232—C231—Si2	121.0 (2)
C115—C116—H116	119.1	C233—C232—C231	122.1 (2)
C111—C116—H116	119.1	C233—C232—H232	119.0
C126—C121—C122	117.2 (2)	C231—C232—H232	119.0
C126—C121—Si1	121.91 (18)	C232—C233—C234	119.9 (2)
C122—C121—Si1	120.8 (2)	C232—C233—H233	120.1
C123—C122—C121	120.9 (3)	C234—C233—H233	120.1
C123—C122—H122	119.5	C235—C234—C233	119.8 (3)
C121—C122—H122	119.5	C235—C234—H234	120.1
C124—C123—C122	120.7 (3)	C233—C234—H234	120.1
C124—C123—H123	119.6	C234—C235—C236	120.0 (3)
C122—C123—H123	119.6	C234—C235—H235	120.0
C123—C124—C125	119.5 (2)	C236—C235—H235	120.0
C123—C124—H124	120.2	C235—C236—C231	121.9 (2)
C125—C124—H124	120.2	C235—C236—H236	119.0
C126—C125—C124	119.6 (3)	C231—C236—H236	119.0
C126—C125—H125	120.2	C12—N1—C16	116.1 (3)
C124—C125—H125	120.2	C22—N2—C26	115.9 (3)
C125—C126—C121	122.0 (2)	N1—C12—C13	124.9 (3)
C125—C126—H126	119.0	N1—C12—H12	117.6
C121—C126—H126	119.0	C13—C12—H12	117.6
C136—C131—C132	116.8 (2)	C12—C13—C14	119.7 (3)
C136—C131—Si1	125.09 (19)	C12—C13—H13	120.2
C132—C131—Si1	118.1 (2)	C14—C13—H13	120.2
C133—C132—C131	121.3 (3)	C13—C14—C15	116.9 (3)
C133—C132—H132	119.4	C13—C14—C17	118.9 (3)
C131—C132—H132	119.4	C15—C14—C17	124.2 (3)
C134—C133—C132	120.2 (3)	C16—C15—C14	118.8 (3)
C134—C133—H133	119.9	C16—C15—H15	120.6
C132—C133—H133	119.9	C14—C15—H15	120.6
C133—C134—C135	120.0 (3)	N1—C16—C15	123.6 (3)
C133—C134—H134	120.0	N1—C16—H16	118.2
C135—C134—H134	120.0	C15—C16—H16	118.2
C136—C135—C134	119.6 (3)	C27—C17—C14	113.2 (3)
C136—C135—H135	120.2	C27—C17—H17A	108.9
C134—C135—H135	120.2	C14—C17—H17A	108.9
C135—C136—C131	122.1 (3)	C27—C17—H17B	108.9
C135—C136—H136	119.0	C14—C17—H17B	108.9
C131—C136—H136	119.0	H17A—C17—H17B	107.7
O2—Si2—C231	110.24 (11)	N2—C22—C23	124.7 (3)
O2—Si2—C221	106.12 (10)	N2—C22—H22	117.7
C231—Si2—C221	110.08 (11)	C23—C22—H22	117.7
O2—Si2—C211	111.68 (11)	C22—C23—C24	119.8 (3)
C231—Si2—C211	109.16 (11)	C22—C23—H23	120.1
C221—Si2—C211	109.54 (11)	C24—C23—H23	120.1
Si2—O2—H2	109.5	C23—C24—C25	116.4 (3)
C216—C211—C212	117.2 (2)	C23—C24—C27	120.6 (3)
C216—C211—Si2	122.81 (18)	C25—C24—C27	123.0 (3)
C212—C211—Si2	120.02 (19)	C26—C25—C24	119.9 (3)
C213—C212—C211	121.3 (2)	C26—C25—H25	120.0
C213—C212—H212	119.3	C24—C25—H25	120.0
C211—C212—H212	119.3	N2—C26—C25	123.1 (3)
C214—C213—C212	119.8 (2)	N2—C26—H26	118.4
C214—C213—H213	120.1	C25—C26—H26	118.4
C212—C213—H213	120.1	C17—C27—C24	112.2 (3)
C215—C214—C213	120.0 (2)	C17—C27—H27A	109.2
C215—C214—H214	120.0	C24—C27—H27A	109.2
C213—C214—H214	120.0	C17—C27—H27B	109.2
C214—C215—C216	119.7 (2)	C24—C27—H27B	109.2
C214—C215—H215	120.1	H27A—C27—H27B	107.9
C216—C215—H215	120.1	H31—O3—H32	101.9
C215—C216—C211	121.9 (2)
O1—Si1—C111—C112	7.9 (2)	C214—C215—C216—C211	−0.3 (4)
C131—Si1—C111—C112	127.6 (2)	C212—C211—C216—C215	1.4 (4)
C121—Si1—C111—C112	−109.8 (2)	Si2—C211—C216—C215	−178.2 (2)
O1—Si1—C111—C116	−172.37 (18)	O2—Si2—C221—C226	111.6 (2)
C131—Si1—C111—C116	−52.6 (2)	C231—Si2—C221—C226	−7.6 (3)
C121—Si1—C111—C116	69.9 (2)	C211—Si2—C221—C226	−127.7 (2)
C116—C111—C112—C113	0.4 (3)	O2—Si2—C221—C222	−66.2 (2)
Si1—C111—C112—C113	−179.87 (19)	C231—Si2—C221—C222	174.6 (2)
C111—C112—C113—C114	−0.5 (4)	C211—Si2—C221—C222	54.5 (2)
C112—C113—C114—C115	0.2 (4)	C226—C221—C222—C223	−0.4 (4)
C113—C114—C115—C116	0.3 (4)	Si2—C221—C222—C223	177.5 (2)
C114—C115—C116—C111	−0.5 (4)	C221—C222—C223—C224	0.0 (4)
C112—C111—C116—C115	0.1 (4)	C222—C223—C224—C225	0.0 (4)
Si1—C111—C116—C115	−179.63 (18)	C223—C224—C225—C226	0.5 (5)
O1—Si1—C121—C126	−179.54 (19)	C222—C221—C226—C225	0.9 (4)
C131—Si1—C121—C126	60.0 (2)	Si2—C221—C226—C225	−177.0 (2)
C111—Si1—C121—C126	−60.2 (2)	C224—C225—C226—C221	−0.9 (4)
O1—Si1—C121—C122	−0.8 (2)	O2—Si2—C231—C236	137.2 (2)
C131—Si1—C121—C122	−121.3 (2)	C221—Si2—C231—C236	−106.1 (2)
C111—Si1—C121—C122	118.6 (2)	C211—Si2—C231—C236	14.2 (2)
C126—C121—C122—C123	−0.3 (4)	O2—Si2—C231—C232	−43.2 (2)
Si1—C121—C122—C123	−179.1 (2)	C221—Si2—C231—C232	73.5 (2)
C121—C122—C123—C124	0.6 (4)	C211—Si2—C231—C232	−166.3 (2)
C122—C123—C124—C125	−0.4 (5)	C236—C231—C232—C233	0.0 (4)
C123—C124—C125—C126	0.0 (4)	Si2—C231—C232—C233	−179.6 (2)
C124—C125—C126—C121	0.2 (4)	C231—C232—C233—C234	−0.6 (4)
C122—C121—C126—C125	−0.1 (4)	C232—C233—C234—C235	0.7 (4)
Si1—C121—C126—C125	178.7 (2)	C233—C234—C235—C236	−0.1 (4)
O1—Si1—C131—C136	−123.5 (2)	C234—C235—C236—C231	−0.6 (4)
C111—Si1—C131—C136	117.2 (2)	C232—C231—C236—C235	0.6 (4)
C121—Si1—C131—C136	−5.1 (3)	Si2—C231—C236—C235	−179.8 (2)
O1—Si1—C131—C132	56.6 (2)	C16—N1—C12—C13	−0.7 (6)
C111—Si1—C131—C132	−62.7 (2)	N1—C12—C13—C14	1.0 (6)
C121—Si1—C131—C132	175.0 (2)	C12—C13—C14—C15	0.0 (5)
C136—C131—C132—C133	0.1 (4)	C12—C13—C14—C17	−179.9 (3)
Si1—C131—C132—C133	−180.0 (2)	C13—C14—C15—C16	−1.1 (5)
C131—C132—C133—C134	−0.5 (5)	C17—C14—C15—C16	178.7 (3)
C132—C133—C134—C135	0.8 (5)	C12—N1—C16—C15	−0.5 (5)
C133—C134—C135—C136	−0.8 (5)	C14—C15—C16—N1	1.5 (5)
C134—C135—C136—C131	0.5 (5)	C13—C14—C17—C27	−154.8 (3)
C132—C131—C136—C135	−0.1 (4)	C15—C14—C17—C27	25.4 (5)
Si1—C131—C136—C135	180.0 (2)	C26—N2—C22—C23	−1.8 (4)
O2—Si2—C211—C216	132.4 (2)	N2—C22—C23—C24	0.1 (5)
C231—Si2—C211—C216	−105.4 (2)	C22—C23—C24—C25	3.2 (5)
C221—Si2—C211—C216	15.2 (3)	C22—C23—C24—C27	−175.7 (3)
O2—Si2—C211—C212	−47.2 (2)	C23—C24—C25—C26	−4.7 (5)
C231—Si2—C211—C212	74.9 (2)	C27—C24—C25—C26	174.2 (3)
C221—Si2—C211—C212	−164.5 (2)	C22—N2—C26—C25	0.2 (5)
C216—C211—C212—C213	−0.7 (4)	C24—C25—C26—N2	3.1 (5)
Si2—C211—C212—C213	179.0 (2)	C14—C17—C27—C24	169.3 (3)
C211—C212—C213—C214	−1.2 (4)	C23—C24—C27—C17	−119.6 (3)
C212—C213—C214—C215	2.4 (4)	C25—C24—C27—C17	61.6 (4)
C213—C214—C215—C216	−1.7 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O3^i	0.82	1.85	2.641 (2)	161
O2—H2···N2	0.82	1.96	2.754 (3)	163
O3—H31···O1	0.92	1.90	2.801 (2)	167
O3—H32···N1	0.92	1.88	2.791 (3)	170

Symmetry code: (i) −x+1, −y+1, −z+1.

(V) Triphenylsilanol–4,4'-bipyridyl–water (2/1/2)

Crystal data

2(C18H16OSi)·C10H8N2·2(H2O)	Z = 2
Mr = 745.01	F(000) = 788
Triclinic, P1	Dx = 1.224 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.9058 (4) Å	Cell parameters from 7517 reflections
b = 13.9098 (8) Å	θ = 2.6–25.5°
c = 16.9083 (8) Å	µ = 0.13 mm^−1
α = 75.053 (3)°	T = 150 K
β = 88.509 (3)°	Block, colourless
γ = 86.951 (3)°	0.24 × 0.17 × 0.10 mm
V = 2020.67 (18) Å^3

Data collection

Kappa-CCD diffractometer	4671 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.078
Graphite monochromator	θmax = 25.5°, θmin = 2.6°
ϕ scans, and ω scans with κ offsets	h = −10→10
21774 measured reflections	k = −16→16
7517 independent reflections	l = −20→20

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)] = 0.052	H-atom parameters constrained
wR(F^2) = 0.131	w = 1/[σ^2(Fo^2) + (0.0493P)^2 + 0.384P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.001
7517 reflections	Δρmax = 0.60 e Å^−3
490 parameters	Δρmin = −0.46 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: 0.0037 (7)

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

	x	y	z	Uiso*/Ueq
Si1	1.56379 (8)	−0.24913 (5)	0.59259 (4)	0.02544 (19)
O1	1.49778 (19)	−0.13352 (13)	0.57725 (10)	0.0309 (4)
C111	1.6869 (3)	−0.26421 (19)	0.50493 (15)	0.0267 (6)
C112	1.6276 (3)	−0.2443 (2)	0.42655 (15)	0.0312 (6)
C113	1.7151 (3)	−0.2520 (2)	0.35977 (17)	0.0385 (7)
C114	1.8659 (3)	−0.2780 (2)	0.36933 (18)	0.0414 (8)
C115	1.9299 (3)	−0.2979 (2)	0.44575 (18)	0.0429 (8)
C116	1.8406 (3)	−0.2914 (2)	0.51291 (17)	0.0356 (7)
C121	1.6727 (3)	−0.27521 (19)	0.68931 (15)	0.0268 (6)
C122	1.7977 (3)	−0.2207 (2)	0.69512 (17)	0.0362 (7)
C123	1.8806 (3)	−0.2402 (2)	0.76659 (18)	0.0398 (8)
C124	1.8390 (3)	−0.3134 (2)	0.83418 (18)	0.0424 (8)
C125	1.7144 (3)	−0.3668 (2)	0.83074 (17)	0.0433 (8)
C126	1.6333 (3)	−0.3484 (2)	0.75885 (16)	0.0348 (7)
C131	1.4040 (3)	−0.3331 (2)	0.60357 (14)	0.0265 (6)
C132	1.2733 (3)	−0.3175 (2)	0.64806 (16)	0.0354 (7)
C133	1.1545 (3)	−0.3797 (2)	0.65731 (16)	0.0360 (7)
C134	1.1613 (3)	−0.4587 (2)	0.62186 (16)	0.0363 (7)
C135	1.2879 (3)	−0.4762 (2)	0.57770 (17)	0.0377 (7)
C136	1.4080 (3)	−0.4146 (2)	0.56943 (16)	0.0316 (6)
Si2	−0.01537 (8)	0.26083 (5)	−0.09215 (4)	0.02554 (19)
O2	−0.0026 (2)	0.13910 (13)	−0.06707 (11)	0.0332 (5)
C211	−0.1135 (3)	0.3060 (2)	−0.00841 (15)	0.0263 (6)
C212	−0.1742 (3)	0.2406 (2)	0.06031 (16)	0.0354 (7)
C213	−0.2469 (3)	0.2757 (2)	0.12175 (18)	0.0451 (8)
C214	−0.2619 (3)	0.3767 (2)	0.11534 (18)	0.0416 (8)
C215	−0.2040 (3)	0.4427 (2)	0.04762 (17)	0.0403 (8)
C216	−0.1303 (3)	0.4073 (2)	−0.01307 (16)	0.0342 (7)
C221	−0.1269 (3)	0.3013 (2)	−0.18797 (15)	0.0259 (6)
C222	−0.2023 (3)	0.2320 (2)	−0.21623 (16)	0.0344 (7)
C223	−0.2892 (3)	0.2593 (2)	−0.28604 (18)	0.0437 (8)
C224	−0.3018 (3)	0.3573 (2)	−0.32993 (17)	0.0425 (8)
C225	−0.2299 (3)	0.4282 (2)	−0.30342 (17)	0.0375 (7)
C226	−0.1433 (3)	0.4009 (2)	−0.23339 (15)	0.0320 (7)
C231	0.1802 (3)	0.3059 (2)	−0.10580 (15)	0.0272 (6)
C232	0.2780 (3)	0.2776 (2)	−0.03905 (17)	0.0367 (7)
C233	0.4261 (3)	0.3061 (3)	−0.0464 (2)	0.0483 (9)
C234	0.4792 (3)	0.3636 (3)	−0.1202 (2)	0.0505 (9)
C235	0.3857 (3)	0.3925 (2)	−0.18622 (19)	0.0445 (8)
C236	0.2381 (3)	0.3637 (2)	−0.17893 (17)	0.0359 (7)
N1	1.0573 (2)	−0.03017 (18)	0.38171 (15)	0.0396 (6)
N2	0.4325 (3)	0.01979 (19)	0.12013 (15)	0.0440 (7)
C12	1.0736 (3)	−0.0271 (2)	0.30279 (18)	0.0392 (7)
C13	0.9568 (3)	−0.0169 (2)	0.24887 (17)	0.0369 (7)
C14	0.8098 (3)	−0.0094 (2)	0.27827 (16)	0.0299 (6)
C15	0.7913 (3)	−0.0113 (2)	0.36035 (17)	0.0369 (7)
C16	0.9163 (3)	−0.0229 (2)	0.40903 (18)	0.0431 (8)
C22	0.4322 (3)	0.0657 (2)	0.18023 (18)	0.0404 (8)
C23	0.5498 (3)	0.0575 (2)	0.23354 (16)	0.0343 (7)
C24	0.6791 (3)	0.0007 (2)	0.22358 (16)	0.0294 (6)
C25	0.6799 (3)	−0.0473 (2)	0.16114 (17)	0.0397 (8)
C26	0.5556 (3)	−0.0369 (2)	0.11201 (18)	0.0463 (8)
O11	1.3532 (2)	−0.04451 (15)	0.44004 (12)	0.0455 (5)
O21	0.1528 (3)	0.02566 (19)	0.05617 (15)	0.0709 (7)
H1	1.4529	−0.1163	0.5323	0.046*
H112	1.5239	−0.2249	0.4189	0.037*
H113	1.6712	−0.2393	0.3072	0.046*
H114	1.9265	−0.2822	0.3231	0.050*
H115	2.0341	−0.3160	0.4523	0.052*
H116	1.8848	−0.3056	0.5655	0.043*
H122	1.8266	−0.1692	0.6493	0.043*
H123	1.9661	−0.2030	0.7688	0.048*
H124	1.8959	−0.3269	0.8829	0.051*
H125	1.6839	−0.4162	0.8776	0.052*
H126	1.5488	−0.3867	0.7571	0.042*
H132	1.2666	−0.2630	0.6723	0.042*
H133	1.0679	−0.3679	0.6881	0.043*
H134	1.0792	−0.5010	0.6278	0.044*
H135	1.2927	−0.5304	0.5530	0.045*
H136	1.4952	−0.4283	0.5398	0.038*
H2	0.0542	0.1187	−0.0267	0.050*
H212	−0.1658	0.1709	0.0652	0.042*
H213	−0.2864	0.2299	0.1685	0.054*
H214	−0.3119	0.4005	0.1574	0.050*
H215	−0.2147	0.5123	0.0426	0.048*
H216	−0.0900	0.4536	−0.0592	0.041*
H222	−0.1942	0.1639	−0.1868	0.041*
H223	−0.3400	0.2102	−0.3036	0.052*
H224	−0.3599	0.3760	−0.3783	0.051*
H225	−0.2395	0.4961	−0.3332	0.045*
H226	−0.0942	0.4507	−0.2159	0.038*
H232	0.2424	0.2383	0.0119	0.044*
H233	0.4909	0.2862	−0.0008	0.058*
H234	0.5804	0.3830	−0.1252	0.061*
H235	0.4220	0.4321	−0.2369	0.053*
H236	0.1747	0.3841	−0.2252	0.043*
H12	1.1730	−0.0322	0.2820	0.047*
H13	0.9758	−0.0151	0.1930	0.044*
H15	0.6936	−0.0048	0.3828	0.044*
H16	0.9012	−0.0258	0.4654	0.052*
H22	0.3461	0.1063	0.1868	0.048*
H23	0.5427	0.0902	0.2765	0.041*
H25	0.7654	−0.0872	0.1522	0.048*
H26	0.5573	−0.0716	0.0704	0.056*
H11A	1.2488	−0.0433	0.4209	0.110*
H11B	1.3860	0.0246	0.4300	0.110*
H21A	0.2586	0.0257	0.0729	0.110*
H21B	0.1337	−0.0402	0.0469	0.110*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1	0.0264 (4)	0.0276 (4)	0.0225 (4)	0.0015 (3)	−0.0018 (3)	−0.0071 (3)
O1	0.0330 (10)	0.0312 (11)	0.0278 (10)	0.0062 (9)	−0.0074 (8)	−0.0072 (8)
C111	0.0272 (13)	0.0257 (15)	0.0278 (14)	−0.0041 (12)	0.0000 (11)	−0.0073 (12)
C112	0.0344 (15)	0.0295 (16)	0.0286 (15)	−0.0015 (13)	0.0001 (12)	−0.0055 (12)
C113	0.0538 (19)	0.0348 (17)	0.0269 (16)	−0.0027 (15)	0.0025 (13)	−0.0082 (13)
C114	0.0513 (19)	0.0342 (18)	0.0406 (18)	−0.0108 (15)	0.0203 (14)	−0.0136 (14)
C115	0.0341 (15)	0.049 (2)	0.049 (2)	−0.0026 (15)	0.0101 (14)	−0.0186 (16)
C116	0.0337 (15)	0.0425 (18)	0.0316 (16)	0.0000 (14)	0.0002 (12)	−0.0117 (13)
C121	0.0294 (14)	0.0269 (15)	0.0248 (14)	0.0060 (12)	−0.0019 (11)	−0.0091 (12)
C122	0.0404 (16)	0.0340 (17)	0.0348 (16)	0.0034 (14)	−0.0044 (12)	−0.0106 (13)
C123	0.0370 (16)	0.0422 (19)	0.0454 (19)	0.0061 (15)	−0.0128 (14)	−0.0208 (15)
C124	0.0446 (18)	0.050 (2)	0.0336 (17)	0.0144 (16)	−0.0155 (14)	−0.0145 (15)
C125	0.0525 (19)	0.047 (2)	0.0260 (16)	0.0060 (17)	−0.0054 (13)	−0.0026 (14)
C126	0.0337 (15)	0.0381 (17)	0.0310 (16)	0.0002 (13)	−0.0023 (12)	−0.0061 (13)
C131	0.0267 (13)	0.0312 (16)	0.0206 (13)	0.0014 (12)	−0.0030 (10)	−0.0050 (11)
C132	0.0316 (15)	0.0442 (19)	0.0335 (16)	0.0025 (14)	0.0002 (12)	−0.0167 (14)
C133	0.0268 (14)	0.0449 (19)	0.0365 (17)	−0.0007 (14)	0.0062 (12)	−0.0115 (14)
C134	0.0311 (15)	0.0416 (18)	0.0342 (16)	−0.0059 (14)	0.0000 (12)	−0.0055 (14)
C135	0.0409 (17)	0.0353 (18)	0.0391 (17)	−0.0075 (14)	0.0056 (13)	−0.0132 (14)
C136	0.0328 (14)	0.0319 (16)	0.0306 (15)	−0.0004 (13)	0.0059 (11)	−0.0094 (12)
Si2	0.0242 (4)	0.0277 (4)	0.0246 (4)	0.0005 (3)	−0.0031 (3)	−0.0066 (3)
O2	0.0387 (11)	0.0270 (11)	0.0330 (11)	0.0044 (9)	−0.0123 (8)	−0.0061 (8)
C211	0.0208 (13)	0.0328 (16)	0.0253 (14)	−0.0018 (12)	−0.0055 (10)	−0.0069 (12)
C212	0.0380 (15)	0.0362 (17)	0.0328 (16)	−0.0073 (14)	0.0021 (12)	−0.0097 (13)
C213	0.0475 (18)	0.052 (2)	0.0362 (18)	−0.0184 (16)	0.0123 (14)	−0.0104 (15)
C214	0.0354 (16)	0.056 (2)	0.0364 (17)	−0.0024 (16)	0.0060 (13)	−0.0182 (16)
C215	0.0453 (17)	0.0389 (18)	0.0376 (17)	0.0075 (15)	0.0023 (13)	−0.0134 (14)
C216	0.0387 (16)	0.0332 (17)	0.0290 (15)	0.0005 (14)	−0.0005 (12)	−0.0053 (13)
C221	0.0223 (13)	0.0298 (15)	0.0253 (14)	0.0016 (12)	0.0032 (10)	−0.0075 (12)
C222	0.0350 (15)	0.0351 (17)	0.0332 (16)	0.0004 (13)	−0.0060 (12)	−0.0085 (13)
C223	0.0450 (17)	0.047 (2)	0.0432 (18)	0.0009 (16)	−0.0184 (14)	−0.0169 (16)
C224	0.0400 (17)	0.058 (2)	0.0281 (16)	0.0072 (16)	−0.0123 (13)	−0.0102 (15)
C225	0.0338 (15)	0.0404 (18)	0.0331 (16)	0.0069 (14)	0.0004 (12)	−0.0015 (14)
C226	0.0286 (14)	0.0371 (17)	0.0302 (15)	−0.0005 (13)	0.0010 (11)	−0.0086 (13)
C231	0.0249 (13)	0.0314 (16)	0.0286 (15)	0.0017 (12)	−0.0008 (11)	−0.0140 (12)
C232	0.0300 (15)	0.0448 (19)	0.0363 (17)	0.0020 (14)	−0.0057 (12)	−0.0128 (14)
C233	0.0283 (15)	0.059 (2)	0.062 (2)	0.0075 (16)	−0.0152 (15)	−0.0245 (18)
C234	0.0257 (15)	0.062 (2)	0.072 (2)	−0.0040 (16)	0.0049 (16)	−0.032 (2)
C235	0.0338 (16)	0.054 (2)	0.0485 (19)	−0.0100 (15)	0.0130 (14)	−0.0175 (16)
C236	0.0320 (15)	0.0441 (19)	0.0347 (16)	−0.0010 (14)	0.0019 (12)	−0.0161 (14)
N1	0.0335 (13)	0.0434 (16)	0.0437 (16)	−0.0058 (12)	−0.0070 (11)	−0.0131 (12)
N2	0.0375 (14)	0.0513 (17)	0.0429 (15)	0.0021 (13)	−0.0108 (11)	−0.0112 (13)
C12	0.0287 (15)	0.0427 (19)	0.0449 (19)	−0.0014 (14)	0.0002 (13)	−0.0087 (15)
C13	0.0303 (15)	0.0447 (19)	0.0354 (16)	−0.0002 (14)	−0.0009 (12)	−0.0100 (14)
C14	0.0314 (14)	0.0278 (16)	0.0320 (15)	0.0012 (13)	−0.0032 (11)	−0.0105 (12)
C15	0.0287 (14)	0.0487 (19)	0.0399 (17)	−0.0013 (14)	−0.0019 (12)	−0.0233 (15)
C16	0.0408 (17)	0.054 (2)	0.0397 (18)	−0.0048 (16)	−0.0040 (13)	−0.0215 (15)
C22	0.0286 (15)	0.0462 (19)	0.0452 (18)	0.0038 (14)	−0.0047 (13)	−0.0103 (15)
C23	0.0310 (14)	0.0387 (17)	0.0350 (16)	0.0009 (14)	0.0002 (12)	−0.0131 (13)
C24	0.0273 (14)	0.0306 (16)	0.0295 (15)	−0.0011 (12)	−0.0016 (11)	−0.0063 (12)
C25	0.0382 (16)	0.0456 (19)	0.0383 (17)	0.0068 (15)	−0.0061 (13)	−0.0174 (14)
C26	0.0474 (18)	0.055 (2)	0.0403 (18)	0.0083 (17)	−0.0141 (14)	−0.0196 (16)
O11	0.0392 (11)	0.0459 (13)	0.0499 (13)	−0.0010 (10)	−0.0178 (9)	−0.0084 (10)
O21	0.0573 (14)	0.0661 (17)	0.0814 (18)	−0.0194 (13)	−0.0311 (13)	0.0015 (14)

Geometric parameters (Å, º)

Si1—O1	1.6404 (17)	C215—C216	1.385 (4)
Si1—C131	1.864 (3)	C215—H215	0.95
Si1—C121	1.867 (2)	C216—H216	0.95
Si1—C111	1.869 (2)	C221—C222	1.390 (4)
O1—H1	0.84	C221—C226	1.403 (4)
C111—C112	1.394 (3)	C222—C223	1.386 (4)
C111—C116	1.401 (3)	C222—H222	0.95
C112—C113	1.379 (4)	C223—C224	1.374 (4)
C112—H112	0.95	C223—H223	0.95
C113—C114	1.375 (4)	C224—C225	1.377 (4)
C113—H113	0.95	C224—H224	0.95
C114—C115	1.381 (4)	C225—C226	1.388 (4)
C114—H114	0.95	C225—H225	0.95
C115—C116	1.389 (4)	C226—H226	0.95
C115—H115	0.95	C231—C236	1.393 (4)
C116—H116	0.95	C231—C232	1.405 (3)
C121—C126	1.393 (4)	C232—C233	1.391 (4)
C121—C122	1.400 (4)	C232—H232	0.95
C122—C123	1.391 (4)	C233—C234	1.383 (5)
C122—H122	0.95	C233—H233	0.95
C123—C124	1.377 (4)	C234—C235	1.372 (4)
C123—H123	0.95	C234—H234	0.95
C124—C125	1.378 (4)	C235—C236	1.388 (4)
C124—H124	0.95	C235—H235	0.95
C125—C126	1.389 (4)	C236—H236	0.95
C125—H125	0.95	N1—C12	1.328 (3)
C126—H126	0.95	N1—C16	1.334 (3)
C131—C136	1.397 (4)	N2—C22	1.332 (4)
C131—C132	1.406 (3)	N2—C26	1.340 (3)
C132—C133	1.383 (4)	C12—C13	1.379 (4)
C132—H132	0.95	C12—H12	0.95
C133—C134	1.379 (4)	C13—C14	1.397 (4)
C133—H133	0.95	C13—H13	0.95
C134—C135	1.381 (4)	C14—C15	1.387 (4)
C134—H134	0.95	C14—C24	1.483 (4)
C135—C136	1.387 (4)	C15—C16	1.380 (4)
C135—H135	0.95	C15—H15	0.95
C136—H136	0.95	C16—H16	0.95
Si2—O2	1.6344 (18)	C22—C23	1.381 (4)
Si2—C221	1.866 (2)	C22—H22	0.95
Si2—C211	1.870 (2)	C23—C24	1.393 (3)
Si2—C231	1.871 (3)	C23—H23	0.95
O2—H2	0.84	C24—C25	1.387 (4)
C211—C216	1.392 (4)	C25—C26	1.380 (4)
C211—C212	1.394 (4)	C25—H25	0.95
C212—C213	1.389 (4)	C26—H26	0.95
C212—H212	0.95	O11—H11A	0.99
C213—C214	1.380 (4)	O11—H11B	0.99
C213—H213	0.95	O21—H21A	0.99
C214—C215	1.377 (4)	O21—H21B	0.99
C214—H214	0.95
O1—Si1—C131	109.35 (10)	C215—C214—H214	120.2
O1—Si1—C121	105.39 (10)	C213—C214—H214	120.2
C131—Si1—C121	111.08 (12)	C214—C215—C216	119.9 (3)
O1—Si1—C111	110.67 (11)	C214—C215—H215	120.1
C131—Si1—C111	109.19 (11)	C216—C215—H215	120.1
C121—Si1—C111	111.12 (11)	C215—C216—C211	121.9 (3)
Si1—O1—H1	109.5	C215—C216—H216	119.1
C112—C111—C116	117.0 (2)	C211—C216—H216	119.1
C112—C111—Si1	119.87 (18)	C222—C221—C226	116.7 (2)
C116—C111—Si1	123.11 (19)	C222—C221—Si2	120.2 (2)
C113—C112—C111	121.8 (2)	C226—C221—Si2	123.0 (2)
C113—C112—H112	119.1	C223—C222—C221	122.0 (3)
C111—C112—H112	119.1	C223—C222—H222	119.0
C114—C113—C112	119.9 (3)	C221—C222—H222	119.0
C114—C113—H113	120.0	C224—C223—C222	120.0 (3)
C112—C113—H113	120.0	C224—C223—H223	120.0
C113—C114—C115	120.3 (3)	C222—C223—H223	120.0
C113—C114—H114	119.8	C223—C224—C225	119.6 (3)
C115—C114—H114	119.8	C223—C224—H224	120.2
C114—C115—C116	119.4 (3)	C225—C224—H224	120.2
C114—C115—H115	120.3	C224—C225—C226	120.3 (3)
C116—C115—H115	120.3	C224—C225—H225	119.8
C115—C116—C111	121.5 (2)	C226—C225—H225	119.8
C115—C116—H116	119.2	C225—C226—C221	121.2 (3)
C111—C116—H116	119.2	C225—C226—H226	119.4
C126—C121—C122	117.0 (2)	C221—C226—H226	119.4
C126—C121—Si1	122.1 (2)	C236—C231—C232	117.1 (3)
C122—C121—Si1	120.9 (2)	C236—C231—Si2	124.41 (19)
C123—C122—C121	121.4 (3)	C232—C231—Si2	118.5 (2)
C123—C122—H122	119.3	C233—C232—C231	121.0 (3)
C121—C122—H122	119.3	C233—C232—H232	119.5
C124—C123—C122	120.2 (3)	C231—C232—H232	119.5
C124—C123—H123	119.9	C234—C233—C232	120.1 (3)
C122—C123—H123	119.9	C234—C233—H233	120.0
C123—C124—C125	119.6 (3)	C232—C233—H233	120.0
C123—C124—H124	120.2	C235—C234—C233	120.0 (3)
C125—C124—H124	120.2	C235—C234—H234	120.0
C124—C125—C126	120.1 (3)	C233—C234—H234	120.0
C124—C125—H125	119.9	C234—C235—C236	119.9 (3)
C126—C125—H125	119.9	C234—C235—H235	120.0
C125—C126—C121	121.6 (3)	C236—C235—H235	120.0
C125—C126—H126	119.2	C235—C236—C231	121.9 (3)
C121—C126—H126	119.2	C235—C236—H236	119.0
C136—C131—C132	116.8 (3)	C231—C236—H236	119.0
C136—C131—Si1	122.29 (19)	C12—N1—C16	116.2 (2)
C132—C131—Si1	120.9 (2)	C22—N2—C26	116.9 (2)
C133—C132—C131	121.6 (3)	N1—C12—C13	124.7 (3)
C133—C132—H132	119.2	N1—C12—H12	117.6
C131—C132—H132	119.2	C13—C12—H12	117.6
C134—C133—C132	120.1 (2)	C12—C13—C14	118.5 (3)
C134—C133—H133	119.9	C12—C13—H13	120.7
C132—C133—H133	119.9	C14—C13—H13	120.7
C133—C134—C135	119.8 (3)	C15—C14—C13	117.3 (2)
C133—C134—H134	120.1	C15—C14—C24	121.6 (2)
C135—C134—H134	120.1	C13—C14—C24	121.2 (2)
C134—C135—C136	120.0 (3)	C16—C15—C14	119.3 (3)
C134—C135—H135	120.0	C16—C15—H15	120.3
C136—C135—H135	120.0	C14—C15—H15	120.3
C135—C136—C131	121.7 (2)	N1—C16—C15	124.0 (3)
C135—C136—H136	119.2	N1—C16—H16	118.0
C131—C136—H136	119.2	C15—C16—H16	118.0
O2—Si2—C221	107.29 (11)	N2—C22—C23	123.8 (2)
O2—Si2—C211	109.79 (11)	N2—C22—H22	118.1
C221—Si2—C211	109.91 (10)	C23—C22—H22	118.1
O2—Si2—C231	107.63 (10)	C22—C23—C24	119.1 (3)
C221—Si2—C231	112.69 (12)	C22—C23—H23	120.4
C211—Si2—C231	109.46 (11)	C24—C23—H23	120.4
Si2—O2—H2	109.5	C25—C24—C23	117.3 (2)
C216—C211—C212	117.3 (2)	C25—C24—C14	121.3 (2)
C216—C211—Si2	120.8 (2)	C23—C24—C14	121.4 (2)
C212—C211—Si2	122.0 (2)	C26—C25—C24	119.6 (2)
C213—C212—C211	121.0 (3)	C26—C25—H25	120.2
C213—C212—H212	119.5	C24—C25—H25	120.2
C211—C212—H212	119.5	N2—C26—C25	123.2 (3)
C214—C213—C212	120.4 (3)	N2—C26—H26	118.4
C214—C213—H213	119.8	C25—C26—H26	118.4
C212—C213—H213	119.8	H11A—O11—H11B	109.5
C215—C214—C213	119.6 (3)	H21A—O21—H21B	109.2
O1—Si1—C111—C112	−60.9 (2)	C213—C214—C215—C216	−0.5 (4)
C131—Si1—C111—C112	59.5 (2)	C214—C215—C216—C211	0.6 (4)
C121—Si1—C111—C112	−177.6 (2)	C212—C211—C216—C215	0.0 (4)
O1—Si1—C111—C116	116.6 (2)	Si2—C211—C216—C215	179.2 (2)
C131—Si1—C111—C116	−123.0 (2)	O2—Si2—C221—C222	10.9 (2)
C121—Si1—C111—C116	−0.2 (3)	C211—Si2—C221—C222	−108.5 (2)
C116—C111—C112—C113	0.7 (4)	C231—Si2—C221—C222	129.2 (2)
Si1—C111—C112—C113	178.3 (2)	O2—Si2—C221—C226	−171.13 (19)
C111—C112—C113—C114	−1.3 (5)	C211—Si2—C221—C226	69.5 (2)
C112—C113—C114—C115	1.0 (5)	C231—Si2—C221—C226	−52.8 (2)
C113—C114—C115—C116	−0.1 (5)	C226—C221—C222—C223	0.3 (4)
C114—C115—C116—C111	−0.5 (5)	Si2—C221—C222—C223	178.5 (2)
C112—C111—C116—C115	0.2 (4)	C221—C222—C223—C224	0.5 (4)
Si1—C111—C116—C115	−177.3 (2)	C222—C223—C224—C225	−1.1 (4)
O1—Si1—C121—C126	117.8 (2)	C223—C224—C225—C226	0.9 (4)
C131—Si1—C121—C126	−0.5 (2)	C224—C225—C226—C221	0.0 (4)
C111—Si1—C121—C126	−122.2 (2)	C222—C221—C226—C225	−0.5 (4)
O1—Si1—C121—C122	−61.5 (2)	Si2—C221—C226—C225	−178.61 (19)
C131—Si1—C121—C122	−179.84 (19)	O2—Si2—C231—C236	118.3 (2)
C111—Si1—C121—C122	58.4 (2)	C221—Si2—C231—C236	0.2 (3)
C126—C121—C122—C123	1.3 (4)	C211—Si2—C231—C236	−122.4 (2)
Si1—C121—C122—C123	−179.30 (19)	O2—Si2—C231—C232	−59.6 (2)
C121—C122—C123—C124	−1.1 (4)	C221—Si2—C231—C232	−177.69 (19)
C122—C123—C124—C125	−0.3 (4)	C211—Si2—C231—C232	59.7 (2)
C123—C124—C125—C126	1.5 (4)	C236—C231—C232—C233	−0.2 (4)
C124—C125—C126—C121	−1.3 (4)	Si2—C231—C232—C233	177.9 (2)
C122—C121—C126—C125	−0.1 (4)	C231—C232—C233—C234	0.2 (4)
Si1—C121—C126—C125	−179.5 (2)	C232—C233—C234—C235	0.0 (5)
O1—Si1—C131—C136	140.2 (2)	C233—C234—C235—C236	−0.2 (5)
C121—Si1—C131—C136	−103.9 (2)	C234—C235—C236—C231	0.2 (4)
C111—Si1—C131—C136	19.0 (2)	C232—C231—C236—C235	0.0 (4)
O1—Si1—C131—C132	−40.6 (2)	Si2—C231—C236—C235	−177.9 (2)
C121—Si1—C131—C132	75.3 (2)	C16—N1—C12—C13	0.1 (5)
C111—Si1—C131—C132	−161.81 (19)	N1—C12—C13—C14	−0.1 (5)
C136—C131—C132—C133	−0.2 (4)	C12—C13—C14—C15	0.8 (4)
Si1—C131—C132—C133	−179.4 (2)	C12—C13—C14—C24	−179.5 (3)
C131—C132—C133—C134	−0.6 (4)	C13—C14—C15—C16	−1.6 (4)
C132—C133—C134—C135	0.6 (4)	C24—C14—C15—C16	178.7 (3)
C133—C134—C135—C136	0.3 (4)	C12—N1—C16—C15	−0.9 (5)
C134—C135—C136—C131	−1.2 (4)	C14—C15—C16—N1	1.7 (5)
C132—C131—C136—C135	1.2 (4)	C26—N2—C22—C23	−0.2 (5)
Si1—C131—C136—C135	−179.6 (2)	N2—C22—C23—C24	1.9 (5)
O2—Si2—C211—C216	176.13 (19)	C22—C23—C24—C25	−1.9 (4)
C221—Si2—C211—C216	−66.1 (2)	C22—C23—C24—C14	179.1 (3)
C231—Si2—C211—C216	58.2 (2)	C15—C14—C24—C25	−145.0 (3)
O2—Si2—C211—C212	−4.7 (2)	C13—C14—C24—C25	35.4 (4)
C221—Si2—C211—C212	113.1 (2)	C15—C14—C24—C23	34.0 (4)
C231—Si2—C211—C212	−122.6 (2)	C13—C14—C24—C23	−145.6 (3)
C216—C211—C212—C213	−0.7 (4)	C23—C24—C25—C26	0.3 (5)
Si2—C211—C212—C213	−179.9 (2)	C14—C24—C25—C26	179.4 (3)
C211—C212—C213—C214	0.8 (4)	C22—N2—C26—C25	−1.5 (5)
C212—C213—C214—C215	−0.2 (4)	C24—C25—C26—N2	1.4 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O11	0.84	1.84	2.660 (2)	164
O11—H11A···N1	0.99	1.83	2.817 (3)	175
O11—H11B···O1^i	0.99	1.86	2.817 (3)	163
O2—H2···O21	0.84	1.85	2.640 (3)	156
O21—H21A···N2	0.99	1.75	2.730 (3)	170
O21—H21B···O2^ii	0.99	1.81	2.678 (3)	144

Symmetry codes: (i) −x+3, −y, −z+1; (ii) −x, −y, −z.

 

Footnotes

¹Supplementary data for this paper are available from the IUCr electronic archives (Reference: NA5012 ). Services for accessing these data are described at the back of the journal.