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Acta Cryst. (2008). E64, m664    [ doi:10.1107/S160053680800888X ]

Bis[(2-pyridylmethyl)(triisopropylsilyl)amido]zinc(II)-toluene-tetrahydrofuran (4/2/1)

C. Koch, H. Görls and M. Westerhausen

Abstract top

The transamination reaction of (2-pyridylmethyl)(triisopropylsilyl)amine with bis{bis(trimethylsilyl)amido}zinc(II) yields the colorless title solvate, [Zn(C15H27N2Si)2]·0.5C7H8·0.25C4H8O. The title compound was crystallized from toluene and tetrahydrofuran. There are two independent molecules in the asymmetric unit. In each molecule, the Zn atom is tetrahedrally coordinated by four N atoms. The two molecules differ in the orientation of the isopropyl groups. The molecules show large N-Zn-N angles [143.0 (2) and 145.7 (2)° between the amide groups].

Comment top

In the past, metallated (2-pyridylmethyl)(trialkysilyl)amines were used for oxidative C–C coupling reactions in order to prepare tetradendate bases. Zincation of (2-pyridylmethyl)(trialkylsilyl)amine (A; trialkylsilyl=tertBuMe2Si, iPr3Si) yields dimeric methylzinc-(2-pyridylmethyl)(trialkylsilyl)amide (B). Further addition of dimethylzinc to a toluene solution of B at raised temperatures yields the C–C coupling product bis(methylzinc)-[1,2-dipyridyl-1,2-bis(trialkylsilylamido)ethane] (Westerhausen et al., 2002). Thermal decomposition of B at 150°C yields [bis{(2-pyridylmethyl)(tert-butyldimethylsilyl)amide} zinc(II)] C (Westerhausen et al., 2001, Westerhausen et al., 2002). The transamination reaction of (2-pyridylmethyl)(tert-butylsilyl)amine with M[N(SiMe3)2]2 (M=Mg, Mn, Fe, Co and Zn) leads to the formation of the corresponding homoleptic [bis{(2-pyridylmethyl)(tert-butylsilyl)amido} metal (II)] (Koch et al., 2007). The synthesis of 1 is similar (Koch et al., 2007).The metal ions are in distorted tetrahedral environments. These compounds crystallize isotypically and show large N(2)–M–N(2)' angles between 142° (Mg) and 156° (Mn). Due to the lower steric demand of the silyl moiety in 1 the corresponding N(2 A)–ZnA–N(4 A) angle with the value of 145.65 (19)° is smaller than 149.95 (7)° in the analogous zinc bis[(2-pyridylmethyl)(tert-butylsilyl)amide] C (Koch et al. 2007).

Related literature top

For related literature, see: Koch et al. (2007), Westerhausen et al. (2001, 2002).

Experimental top

All manipulations were carried out in an atmosphere of argon using standard Schlenk techniques. Toluene, THF and pentane were dried (Na/benzophenone) and distilled prior to use. 2-Pyridylmethylamine and butyllithium were purchased form Aldrich. Triisopropylchlorosilane was purchased from Merck.1H-NMR and 13C-NMR spectra were recorded at C6D6 solution at ambient temperature on a Bruker AC 400 MHz s pectrometer and were referenced to deuterated benzene as an internal standard.

Zinc bis[(2-pyridylmethyl)(triisopropylsilyl)amide] was prepared according to a literature procedure (Koch et al.2007) and recrystallized from pentane, toluene and thf.

Spectroscopic data:

1H NMR (200 MHz, [D6]benzene) δ = 8.29 (d, 3J(H1,H2) = 6.0, 1H, Pyr1); 6.79–7.12 (m, 1H, Pyr3); 6.78 (d, 3J(H4,H3) = 7.8, 1H, Pyr4); 6.44–6.49 (m, 1H, Pyr2); 4.52 (s, 2H, CH2); 1.30 (s, 18H, SiCHMe2); 1.27 (s, 3H, SiCHMe2).

13C NMR (50 MHz, [D6]benzene) δ = 165.28 (Pyr5); 144.94 (Pyr1); 137.70 (Pyr3); 122.47 (Pyr2); 122.10 (Pyr4); 53.17 (2J, CH2); 19.59 (SiCHMe2); 14.00 (SiCHMe2).

IR (cm-1): 3376, 2925, 2854, 1592, 1571, 1463, 1377, 1251.

Refinement top

All hydrogen atoms were set to idealized positions and were refined with isotropic thermal parameters 1.2 times that of the attached atom (1.5 for methyl groups). The methyl groups of both molecules were allowed to rotate but not to tip. The thf molecule was modeled with a 50% occupancy.

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL/PC (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of 1, showing 40% probability displacement ellipsoids and the atom-numbering scheme for molecule A H atoms have been omitted for clarity.
[Figure 2] Fig. 2. The molecular structure of 1, showing 40% probability displacement ellipsoids and the atom-numbering scheme for molecule B H atoms have been omitted for clarity.
Bis[(2-pyridylmethyl)(triisopropylsilyl)amido]zinc(II)– toluene–tetrahydrofuran (4/2/1) top
Crystal data top
[Zn(C15H27N2Si1)2]·0.5(C7H8)·0.25(C4H8O)F000 = 1420
Mr = 656.44Dx = 1.113 Mg m−3
Monoclinic, P21Mo Kα radiation
λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 26798 reflections
a = 13.2410 (3) Åθ = 2.3–27.5º
b = 17.6223 (4) ŵ = 0.72 mm−1
c = 16.7978 (5) ÅT = 183 (2) K
β = 91.018 (2)ºPrism, colourless
V = 3918.93 (17) Å30.04 × 0.04 × 0.03 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer		11581 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.051
Monochromator: graphiteθmax = 27.5º
T = 183(2) Kθmin = 2.3º
φ and ω scansh = −16→17
Absorption correction: nonek = −22→21
26798 measured reflectionsl = −21→21
16235 independent reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.061  w = 1/[σ2(Fo2) + (0.0995P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.173(Δ/σ)max = 0.001
S = 1.01Δρmax = 1.04 e Å−3
16235 reflectionsΔρmin = −0.38 e Å−3
754 parametersExtinction correction: none
1 restraintAbsolute structure: Flack (1983), 7003 Friedel Pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: −0.026 (12)
Secondary atom site location: difference Fourier map
Crystal data top
[Zn(C15H27N2Si1)2]·0.5(C7H8)·0.25(C4H8O)V = 3918.93 (17) Å3
Mr = 656.44Z = 4
Monoclinic, P21Mo Kα
a = 13.2410 (3) ŵ = 0.72 mm−1
b = 17.6223 (4) ÅT = 183 (2) K
c = 16.7978 (5) Å0.04 × 0.04 × 0.03 mm
β = 91.018 (2)º
Data collection top
Nonius KappaCCD
diffractometer		16235 independent reflections
Absorption correction: none11581 reflections with I > 2σ(I)
26798 measured reflectionsRint = 0.051
Refinement top
R[F2 > 2σ(F2)] = 0.061H-atom parameters constrained
wR(F2) = 0.173Δρmax = 1.04 e Å−3
S = 1.01Δρmin = −0.38 e Å−3
16235 reflectionsAbsolute structure: Flack (1983), 7003 Friedel Pairs
754 parametersFlack parameter: −0.026 (12)
1 restraint
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn1A0.33924 (4)1.03552 (3)0.86223 (3)0.02695 (15)
Si1A0.36403 (13)1.01974 (8)1.05506 (9)0.0336 (3)
Si2A0.39898 (11)1.19976 (8)0.78840 (9)0.0291 (3)
N1A0.4218 (3)0.9452 (2)0.8080 (3)0.0288 (10)
N2A0.3895 (3)0.9918 (2)0.9601 (3)0.0303 (10)
N3A0.1902 (3)1.0067 (2)0.8238 (3)0.0283 (9)
N4A0.3154 (3)1.1277 (2)0.8040 (3)0.0295 (10)
C1A0.4342 (4)0.9266 (3)0.7307 (3)0.0361 (13)
H1AA0.40370.95760.69080.043*
C2A0.4888 (4)0.8654 (3)0.7081 (4)0.0386 (14)
H2AA0.49460.85320.65330.046*
C3A0.5357 (4)0.8209 (3)0.7653 (4)0.0391 (14)
H3AA0.57510.77840.75050.047*
C4A0.5242 (4)0.8395 (3)0.8452 (4)0.0375 (13)
H4AA0.55490.80940.88590.045*
C5A0.4672 (4)0.9027 (3)0.8644 (3)0.0294 (11)
C6A0.4554 (4)0.9278 (3)0.9496 (3)0.0364 (13)
H6AA0.42910.88460.98070.044*
H6AB0.52290.94080.97190.044*
C7A0.3222 (5)0.9345 (3)1.1157 (3)0.0392 (14)
H7AA0.38200.89991.11850.047*
C8A0.2971 (8)0.9531 (4)1.2026 (4)0.074 (3)
H8AA0.28880.90591.23250.111*
H8AB0.23420.98251.20400.111*
H8AC0.35210.98291.22670.111*
C9A0.2378 (5)0.8886 (4)1.0755 (4)0.0481 (16)
H9AA0.22190.84451.10850.072*
H9AB0.25980.87141.02310.072*
H9AC0.17750.92041.06910.072*
C10A0.4798 (6)1.0600 (4)1.1099 (4)0.0517 (17)
H10A0.45511.08331.16020.062*
C11A0.5289 (7)1.1234 (5)1.0628 (6)0.077 (3)
H11A0.57571.15161.09760.115*
H11B0.47661.15791.04220.115*
H11C0.56601.10161.01830.115*
C12A0.5593 (7)1.0014 (5)1.1341 (5)0.073 (2)
H12A0.61791.02711.15820.109*
H12B0.58040.97311.08700.109*
H12C0.53070.96611.17290.109*
C13A0.2666 (6)1.0980 (4)1.0475 (4)0.0514 (17)
H13A0.28601.12961.00070.062*
C14A0.2652 (7)1.1533 (5)1.1203 (5)0.072 (2)*
H14A0.21251.19161.11170.107*
H14B0.33101.17831.12590.107*
H14C0.25121.12451.16880.107*
C15A0.1574 (6)1.0723 (5)1.0309 (5)0.069 (2)*
H15A0.11521.11671.01900.104*
H15B0.13151.04621.07780.104*
H15C0.15571.03770.98520.104*
C16A0.1368 (4)0.9448 (3)0.8358 (4)0.0383 (13)
H16A0.16690.90450.86530.046*
C17A0.0373 (5)0.9358 (4)0.8068 (4)0.0420 (14)
H17A−0.00060.89140.81780.050*
C18A−0.0032 (4)0.9943 (4)0.7615 (4)0.0426 (15)
H18A−0.06930.98960.73900.051*
C19A0.0515 (4)1.0587 (3)0.7490 (3)0.0373 (13)
H19A0.02331.09950.71920.045*
C20A0.1511 (4)1.0638 (3)0.7812 (3)0.0297 (11)
C21A0.2143 (4)1.1347 (3)0.7703 (4)0.0348 (13)
H21A0.21901.14590.71270.042*
H21B0.17991.17810.79570.042*
C22A0.4036 (5)1.2254 (4)0.6770 (3)0.0423 (14)
H22A0.33691.24950.66420.051*
C23A0.4814 (6)1.2841 (4)0.6574 (5)0.062 (2)
H23A0.47691.29620.60050.094*
H23B0.54891.26440.67040.094*
H23C0.46911.33020.68850.094*
C24A0.4098 (5)1.1557 (4)0.6219 (4)0.0495 (16)
H24A0.39261.17080.56720.074*
H24B0.36221.11690.63950.074*
H24C0.47851.13520.62390.074*
C25A0.3677 (4)1.2927 (3)0.8403 (4)0.0367 (13)
H25A0.42921.32560.83950.044*
C26A0.2796 (5)1.3372 (4)0.8017 (4)0.0509 (17)
H26A0.26451.38180.83430.076*
H26B0.21981.30460.79800.076*
H26C0.29841.35360.74820.076*
C27A0.3398 (6)1.2793 (4)0.9278 (4)0.0547 (18)
H27A0.32731.32820.95360.082*
H27B0.39561.25330.95550.082*
H27C0.27881.24800.92990.082*
C28A0.5249 (4)1.1648 (3)0.8311 (4)0.0374 (13)
H28A0.50801.13310.87850.045*
C29A0.5978 (5)1.2263 (4)0.8620 (5)0.0540 (17)
H29A0.65901.20240.88410.081*
H29B0.56511.25600.90360.081*
H29C0.61601.25990.81810.081*
C30A0.5805 (4)1.1120 (4)0.7742 (4)0.0474 (16)
H30A0.64451.09590.79900.071*
H30B0.59401.13910.72460.071*
H30C0.53861.06740.76270.071*
Zn1B0.16087 (4)0.72556 (3)0.63234 (3)0.02721 (15)
Si1B−0.07885 (10)0.70358 (8)0.59155 (9)0.0284 (3)
Si2B0.31298 (11)0.59836 (8)0.55680 (9)0.0267 (3)
N1B0.1792 (3)0.7365 (3)0.7578 (3)0.0299 (10)
N2B0.0210 (3)0.7084 (3)0.6574 (2)0.0290 (9)
N3B0.2153 (3)0.8345 (2)0.5982 (3)0.0288 (10)
N4B0.2689 (3)0.6892 (2)0.5682 (3)0.0297 (10)
C1B0.2603 (4)0.7557 (3)0.8026 (4)0.0355 (13)
H1BA0.32170.76660.77650.043*
C2B0.2587 (5)0.7604 (3)0.8840 (4)0.0371 (13)
H2BA0.31740.77450.91370.045*
C3B0.1681 (5)0.7437 (3)0.9223 (3)0.0392 (14)
H3BA0.16430.74540.97870.047*
C4B0.0845 (4)0.7249 (3)0.8760 (3)0.0376 (13)
H4BA0.02190.71440.90070.045*
C5B0.0914 (4)0.7212 (3)0.7940 (3)0.0291 (11)
C6B0.0033 (4)0.6978 (4)0.7420 (3)0.0363 (13)
H6BA−0.01180.64360.75190.044*
H6BB−0.05670.72770.75700.044*
C7B−0.1881 (4)0.7642 (4)0.6286 (4)0.0413 (14)
H7BA−0.21210.73930.67830.050*
C8B−0.1581 (5)0.8458 (4)0.6520 (4)0.0527 (17)*
H8BA−0.21250.86900.68240.079*
H8BB−0.14650.87560.60380.079*
H8BC−0.09600.84460.68470.079*
C9B−0.2801 (5)0.7663 (4)0.5705 (4)0.0527 (18)
H9BA−0.33570.79390.59510.079*
H9BB−0.30180.71430.55830.079*
H9BC−0.26120.79190.52120.079*
C10B−0.1340 (4)0.6054 (3)0.5768 (4)0.0374 (13)
H10B−0.18070.60780.52950.045*
C11B−0.1974 (5)0.5763 (4)0.6491 (4)0.0550 (18)
H11D−0.21940.52400.63900.083*
H11E−0.25670.60890.65550.083*
H11F−0.15560.57800.69780.083*
C12B−0.0527 (5)0.5458 (4)0.5587 (5)0.0550 (18)
H12D−0.08380.49540.55580.082*
H12E−0.00080.54630.60100.082*
H12F−0.02160.55770.50760.082*
C13B−0.0279 (4)0.7355 (3)0.4918 (3)0.0360 (13)
H13B0.04080.71230.48820.043*
C14B−0.0876 (5)0.7070 (5)0.4170 (4)0.059 (2)
H14D−0.05510.72570.36880.088*
H14E−0.15710.72590.41850.088*
H14F−0.08820.65140.41650.088*
C15B−0.0116 (6)0.8202 (4)0.4862 (4)0.0530 (17)
H15D0.03240.83130.44130.080*
H15E0.02020.83860.53560.080*
H15F−0.07680.84560.47790.080*
C16B0.1863 (4)0.9045 (3)0.6184 (3)0.0355 (13)
H16B0.13410.90960.65600.043*
C17B0.2275 (5)0.9694 (3)0.5879 (4)0.0409 (14)
H17B0.20541.01810.60460.049*
C18B0.3011 (5)0.9615 (3)0.5330 (4)0.0389 (14)
H18B0.33071.00520.50980.047*
C19B0.3321 (4)0.8916 (3)0.5115 (4)0.0382 (14)
H19B0.38380.88600.47340.046*
C20B0.2881 (4)0.8274 (3)0.5451 (3)0.0301 (11)
C21B0.3212 (5)0.7483 (3)0.5243 (4)0.0395 (14)
H21C0.30940.74010.46660.047*
H21D0.39470.74370.53510.047*
C22B0.4494 (4)0.5906 (3)0.5924 (4)0.0370 (13)
H22B0.49250.60800.54760.044*
C23B0.4844 (4)0.5098 (4)0.6148 (4)0.0450 (15)
H23D0.55720.51010.62640.067*
H23E0.46990.47520.57040.067*
H23F0.44830.49270.66200.067*
C24B0.4734 (5)0.6428 (4)0.6644 (4)0.0487 (16)
H24D0.54610.64150.67640.073*
H24E0.43630.62500.71090.073*
H24F0.45290.69490.65170.073*
C25B0.3109 (4)0.5733 (3)0.4459 (3)0.0346 (12)
H25B0.34410.61740.41960.041*
C26B0.2035 (5)0.5727 (4)0.4112 (4)0.0505 (16)
H26D0.20590.57770.35310.076*
H26E0.16530.61520.43320.076*
H26F0.17050.52480.42490.076*
C27B0.3714 (5)0.5042 (4)0.4192 (4)0.0442 (15)
H27D0.36220.49720.36160.066*
H27E0.34760.45890.44700.066*
H27F0.44320.51220.43180.066*
C28B0.2242 (4)0.5346 (3)0.6128 (3)0.0360 (12)
H28B0.15470.55180.59690.043*
C29B0.2278 (6)0.4504 (4)0.5911 (4)0.0517 (18)
H29D0.17930.42240.62320.078*
H29E0.29600.43080.60150.078*
H29F0.21050.44420.53450.078*
C30B0.2298 (5)0.5435 (4)0.7044 (3)0.0426 (14)
H30D0.16730.52460.72760.064*
H30E0.23860.59720.71800.064*
H30F0.28730.51440.72570.064*
C1T0.8334 (9)0.9809 (6)0.9947 (7)0.095 (3)
C2T0.7634 (8)0.9935 (6)0.9348 (8)0.107 (4)
H2TC0.72701.03990.93340.128*
C3T0.7458 (7)0.9415 (6)0.8788 (8)0.098 (3)
H3TC0.70080.95340.83590.118*
C4T0.7899 (8)0.8722 (6)0.8807 (7)0.090 (3)
H4TC0.77390.83530.84130.108*
C5T0.8572 (8)0.8567 (6)0.9402 (7)0.095 (3)
H5TA0.88790.80800.94390.114*
C6T0.8809 (7)0.9125 (5)0.9957 (7)0.083 (3)
H6TA0.93140.90271.03520.099*
C7T0.8582 (12)1.0359 (10)1.0535 (10)0.160 (6)*
H7TA0.90901.01501.09050.240*
H7TB0.79741.04941.08280.240*
H7TC0.88531.08131.02780.240*
O1TH0.8602 (9)1.2011 (7)0.7855 (7)0.079 (3)*0.50
C1TH0.9455 (13)1.2052 (10)0.8595 (11)0.075 (5)*0.50
H1TA0.91201.20470.91170.090*0.50
H1TB0.99251.16160.85700.090*0.50
C2TH0.9996 (9)1.2771 (7)0.8477 (8)0.042 (3)*0.50
H2TA1.07241.26690.84040.050*0.50
H2TB0.99241.30970.89520.050*0.50
C3TH0.9563 (9)1.3178 (7)0.7743 (7)0.040 (3)*0.50
H3TA0.93211.36860.79030.048*0.50
H3TB1.01081.32500.73550.048*0.50
C4TH0.8709 (11)1.2755 (8)0.7348 (9)0.057 (4)*0.50
H4TA0.88681.26340.67890.068*0.50
H4TB0.80791.30570.73570.068*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn1A0.0295 (3)0.0243 (3)0.0270 (3)0.0012 (3)−0.0014 (2)0.0016 (3)
Si1A0.0493 (9)0.0249 (8)0.0266 (8)0.0012 (7)−0.0030 (7)−0.0014 (6)
Si2A0.0300 (7)0.0240 (7)0.0333 (8)−0.0005 (6)0.0027 (6)0.0021 (6)
N1A0.027 (2)0.031 (2)0.028 (2)0.0009 (19)−0.0030 (19)−0.0012 (19)
N2A0.036 (2)0.027 (2)0.028 (2)0.0079 (19)−0.0021 (19)0.0007 (18)
N3A0.030 (2)0.026 (2)0.028 (2)0.0000 (19)−0.0005 (18)0.0020 (18)
N4A0.027 (2)0.028 (2)0.034 (3)−0.0008 (18)−0.0018 (19)0.0066 (19)
C1A0.039 (3)0.041 (3)0.028 (3)−0.002 (3)0.004 (2)−0.002 (3)
C2A0.039 (3)0.041 (3)0.036 (3)−0.002 (3)0.005 (3)−0.012 (3)
C3A0.037 (3)0.037 (3)0.043 (4)0.008 (3)0.005 (3)−0.010 (3)
C4A0.042 (3)0.030 (3)0.040 (3)0.009 (3)−0.005 (3)−0.005 (2)
C5A0.025 (2)0.029 (3)0.034 (3)−0.001 (2)−0.002 (2)−0.003 (2)
C6A0.042 (3)0.031 (3)0.036 (3)0.007 (3)−0.004 (3)−0.001 (2)
C7A0.056 (4)0.035 (3)0.027 (3)0.002 (3)0.001 (3)−0.003 (2)
C8A0.141 (8)0.053 (5)0.029 (4)−0.006 (5)0.012 (4)0.000 (3)
C9A0.060 (4)0.040 (4)0.044 (4)−0.008 (3)0.013 (3)0.007 (3)
C10A0.076 (5)0.041 (4)0.038 (4)−0.009 (3)−0.009 (3)−0.002 (3)
C11A0.086 (6)0.056 (5)0.087 (6)−0.026 (4)−0.037 (5)0.009 (4)
C12A0.083 (5)0.058 (4)0.076 (6)−0.005 (4)−0.051 (5)−0.003 (4)
C13A0.074 (5)0.038 (3)0.042 (4)0.009 (3)0.015 (3)0.005 (3)
C16A0.038 (3)0.033 (3)0.044 (3)0.002 (3)0.000 (3)0.003 (3)
C17A0.043 (3)0.037 (3)0.046 (4)−0.007 (3)0.003 (3)−0.001 (3)
C18A0.031 (3)0.054 (4)0.043 (4)0.001 (3)−0.005 (3)−0.008 (3)
C19A0.035 (3)0.042 (3)0.035 (3)0.003 (3)−0.003 (2)0.001 (3)
C20A0.029 (3)0.031 (3)0.029 (3)0.001 (2)−0.001 (2)−0.004 (2)
C21A0.031 (3)0.030 (3)0.043 (3)−0.001 (2)−0.003 (2)0.009 (3)
C22A0.047 (3)0.042 (3)0.038 (3)0.003 (3)0.011 (3)0.006 (3)
C23A0.070 (5)0.061 (5)0.057 (5)−0.008 (4)0.023 (4)0.020 (4)
C24A0.053 (4)0.057 (4)0.038 (4)0.009 (3)0.009 (3)0.003 (3)
C25A0.038 (3)0.028 (3)0.043 (3)0.004 (2)0.007 (3)−0.002 (3)
C26A0.054 (4)0.031 (3)0.067 (5)0.016 (3)−0.001 (3)−0.004 (3)
C27A0.076 (5)0.038 (3)0.051 (4)−0.001 (3)0.019 (4)−0.010 (3)
C28A0.033 (3)0.029 (3)0.050 (4)−0.002 (2)−0.005 (3)−0.004 (3)
C29A0.042 (3)0.047 (4)0.073 (5)−0.003 (3)−0.007 (3)−0.009 (4)
C30A0.033 (3)0.039 (3)0.069 (5)0.009 (3)−0.002 (3)−0.005 (3)
Zn1B0.0253 (3)0.0298 (3)0.0266 (3)0.0001 (3)0.0029 (2)0.0016 (3)
Si1B0.0259 (7)0.0312 (8)0.0282 (7)−0.0013 (6)0.0005 (6)−0.0007 (6)
Si2B0.0284 (7)0.0260 (7)0.0259 (7)−0.0008 (6)0.0032 (6)0.0002 (6)
N1B0.028 (2)0.034 (2)0.028 (2)0.0022 (19)0.0008 (18)0.0016 (19)
N2B0.028 (2)0.039 (3)0.020 (2)0.0020 (19)0.0014 (17)−0.0004 (19)
N3B0.030 (2)0.027 (2)0.029 (2)0.0024 (19)−0.0003 (19)0.0031 (19)
N4B0.031 (2)0.030 (2)0.029 (2)−0.0008 (19)0.0068 (19)0.0062 (19)
C1B0.029 (3)0.034 (3)0.043 (3)−0.004 (2)−0.001 (2)−0.004 (3)
C2B0.040 (3)0.034 (3)0.037 (3)−0.003 (3)−0.010 (3)−0.005 (3)
C3B0.051 (3)0.039 (3)0.028 (3)−0.006 (3)0.001 (3)−0.001 (2)
C4B0.040 (3)0.041 (3)0.032 (3)0.002 (3)0.013 (2)0.007 (3)
C5B0.029 (2)0.029 (3)0.030 (3)−0.002 (2)0.001 (2)0.005 (2)
C6B0.031 (3)0.054 (4)0.024 (3)−0.007 (3)−0.001 (2)0.004 (3)
C7B0.035 (3)0.049 (4)0.040 (3)0.010 (3)−0.005 (3)−0.012 (3)
C9B0.038 (3)0.060 (4)0.060 (4)0.017 (3)−0.006 (3)−0.012 (4)
C10B0.030 (3)0.045 (3)0.037 (3)−0.007 (3)−0.005 (2)0.000 (3)
C11B0.057 (4)0.060 (4)0.047 (4)−0.024 (4)−0.001 (3)0.011 (3)
C12B0.045 (4)0.041 (4)0.078 (5)0.003 (3)−0.004 (3)−0.014 (3)
C13B0.039 (3)0.040 (3)0.029 (3)−0.006 (3)0.001 (2)−0.004 (3)
C14B0.059 (4)0.086 (6)0.031 (3)−0.019 (4)−0.001 (3)0.001 (4)
C15B0.062 (4)0.049 (4)0.047 (4)−0.004 (3)−0.010 (3)0.011 (3)
C16B0.037 (3)0.034 (3)0.035 (3)0.004 (3)0.003 (2)−0.006 (2)
C17B0.054 (4)0.032 (3)0.037 (3)0.007 (3)−0.003 (3)−0.004 (3)
C18B0.046 (3)0.030 (3)0.041 (3)−0.004 (3)0.001 (3)0.007 (3)
C19B0.041 (3)0.035 (3)0.038 (3)0.002 (3)0.009 (3)0.007 (3)
C20B0.026 (3)0.031 (3)0.033 (3)0.002 (2)−0.001 (2)0.002 (2)
C21B0.041 (3)0.036 (3)0.042 (3)0.001 (3)0.010 (3)0.007 (3)
C22B0.034 (3)0.035 (3)0.042 (3)0.003 (2)−0.001 (3)−0.005 (3)
C23B0.036 (3)0.052 (4)0.047 (4)0.019 (3)−0.004 (3)0.005 (3)
C24B0.041 (3)0.045 (4)0.059 (4)0.003 (3)−0.016 (3)−0.017 (3)
C25B0.040 (3)0.033 (3)0.030 (3)0.003 (2)0.003 (2)−0.006 (2)
C26B0.060 (4)0.058 (4)0.033 (3)−0.003 (3)−0.011 (3)−0.008 (3)
C27B0.056 (4)0.041 (3)0.036 (3)−0.002 (3)0.002 (3)−0.007 (3)
C28B0.032 (3)0.042 (3)0.035 (3)−0.009 (3)−0.001 (2)0.009 (3)
C29B0.062 (4)0.049 (4)0.044 (4)−0.028 (3)0.006 (3)0.001 (3)
C30B0.055 (4)0.039 (3)0.034 (3)0.001 (3)0.007 (3)0.003 (3)
C1T0.104 (8)0.078 (7)0.104 (8)−0.032 (6)0.027 (7)−0.021 (6)
C2T0.081 (7)0.068 (6)0.169 (12)−0.011 (5)−0.042 (8)−0.005 (7)
C3T0.066 (6)0.083 (7)0.145 (11)−0.016 (5)−0.022 (6)0.007 (7)
C4T0.084 (7)0.093 (8)0.092 (8)−0.003 (6)0.009 (6)0.003 (6)
C5T0.093 (7)0.078 (7)0.114 (9)0.012 (6)0.032 (7)−0.005 (6)
C6T0.081 (6)0.066 (6)0.102 (8)0.011 (5)0.016 (5)0.016 (5)
Geometric parameters (Å, °) top
Zn1A—N4A1.920 (4)N2B—C6B1.456 (6)
Zn1A—N2A1.924 (4)N3B—C20B1.330 (7)
Zn1A—N3A2.127 (4)N3B—C16B1.338 (7)
Zn1A—N1A2.143 (4)N4B—C21B1.458 (7)
Si1A—N2A1.709 (5)C1B—C2B1.371 (8)
Si1A—C13A1.891 (7)C1B—H1BA0.9500
Si1A—C7A1.902 (6)C2B—C3B1.402 (8)
Si1A—C10A1.911 (7)C2B—H2BA0.9500
Si2A—N4A1.708 (4)C3B—C4B1.382 (8)
Si2A—C25A1.904 (6)C3B—H3BA0.9500
Si2A—C28A1.906 (6)C4B—C5B1.385 (7)
Si2A—C22A1.926 (6)C4B—H4BA0.9500
N1A—C5A1.341 (7)C5B—C6B1.503 (7)
N1A—C1A1.352 (7)C6B—H6BA0.9900
N2A—C6A1.438 (7)C6B—H6BB0.9900
N3A—C16A1.317 (7)C7B—C8B1.541 (9)
N3A—C20A1.335 (7)C7B—C9B1.547 (8)
N4A—C21A1.449 (7)C7B—H7BA1.0000
C1A—C2A1.357 (8)C8B—H8BA0.9800
C1A—H1AA0.9500C8B—H8BB0.9800
C2A—C3A1.379 (8)C8B—H8BC0.9800
C2A—H2AA0.9500C9B—H9BA0.9800
C3A—C4A1.392 (8)C9B—H9BB0.9800
C3A—H3AA0.9500C9B—H9BC0.9800
C4A—C5A1.387 (8)C10B—C12B1.539 (9)
C4A—H4AA0.9500C10B—C11B1.574 (9)
C5A—C6A1.508 (8)C10B—H10B1.0000
C6A—H6AA0.9900C11B—H11D0.9800
C6A—H6AB0.9900C11B—H11E0.9800
C7A—C9A1.528 (9)C11B—H11F0.9800
C7A—C8A1.539 (9)C12B—H12D0.9800
C7A—H7AA1.0000C12B—H12E0.9800
C8A—H8AA0.9800C12B—H12F0.9800
C8A—H8AB0.9800C13B—C15B1.511 (9)
C8A—H8AC0.9800C13B—C14B1.556 (8)
C9A—H9AA0.9800C13B—H13B1.0000
C9A—H9AB0.9800C14B—H14D0.9800
C9A—H9AC0.9800C14B—H14E0.9800
C10A—C11A1.522 (10)C14B—H14F0.9800
C10A—C12A1.525 (10)C15B—H15D0.9800
C10A—H10A1.0000C15B—H15E0.9800
C11A—H11A0.9800C15B—H15F0.9800
C11A—H11B0.9800C16B—C17B1.368 (9)
C11A—H11C0.9800C16B—H16B0.9500
C12A—H12A0.9800C17B—C18B1.362 (9)
C12A—H12B0.9800C17B—H17B0.9500
C12A—H12C0.9800C18B—C19B1.351 (8)
C13A—C15A1.537 (11)C18B—H18B0.9500
C13A—C14A1.563 (11)C19B—C20B1.396 (8)
C13A—H13A1.0000C19B—H19B0.9500
C14A—H14A0.9800C20B—C21B1.504 (8)
C14A—H14B0.9800C21B—H21C0.9900
C14A—H14C0.9800C21B—H21D0.9900
C15A—H15A0.9800C22B—C23B1.543 (8)
C15A—H15B0.9800C22B—C24B1.549 (8)
C15A—H15C0.9800C22B—H22B1.0000
C16A—C17A1.406 (9)C23B—H23D0.9800
C16A—H16A0.9500C23B—H23E0.9800
C17A—C18A1.384 (9)C23B—H23F0.9800
C17A—H17A0.9500C24B—H24D0.9800
C18A—C19A1.364 (9)C24B—H24E0.9800
C18A—H18A0.9500C24B—H24F0.9800
C19A—C20A1.419 (8)C25B—C26B1.526 (9)
C19A—H19A0.9500C25B—C27B1.530 (8)
C20A—C21A1.516 (8)C25B—H25B1.0000
C21A—H21A0.9900C26B—H26D0.9800
C21A—H21B0.9900C26B—H26E0.9800
C22A—C23A1.502 (9)C26B—H26F0.9800
C22A—C24A1.540 (9)C27B—H27D0.9800
C22A—H22A1.0000C27B—H27E0.9800
C23A—H23A0.9800C27B—H27F0.9800
C23A—H23B0.9800C28B—C29B1.529 (9)
C23A—H23C0.9800C28B—C30B1.548 (8)
C24A—H24A0.9800C28B—H28B1.0000
C24A—H24B0.9800C29B—H29D0.9800
C24A—H24C0.9800C29B—H29E0.9800
C25A—C26A1.539 (8)C29B—H29F0.9800
C25A—C27A1.540 (9)C30B—H30D0.9800
C25A—H25A1.0000C30B—H30E0.9800
C26A—H26A0.9800C30B—H30F0.9800
C26A—H26B0.9800C1T—C6T1.361 (14)
C26A—H26C0.9800C1T—C2T1.373 (15)
C27A—H27A0.9800C1T—C7T1.418 (17)
C27A—H27B0.9800C2T—C3T1.332 (15)
C27A—H27C0.9800C2T—H2TC0.9500
C28A—C30A1.532 (8)C3T—C4T1.352 (14)
C28A—C29A1.537 (8)C3T—H3TC0.9500
C28A—H28A1.0000C4T—C5T1.356 (14)
C29A—H29A0.9800C4T—H4TC0.9500
C29A—H29B0.9800C5T—C6T1.386 (14)
C29A—H29C0.9800C5T—H5TA0.9500
C30A—H30A0.9800C6T—H6TA0.9500
C30A—H30B0.9800C7T—H7TA0.9800
C30A—H30C0.9800C7T—H7TB0.9800
Zn1B—N4B1.916 (4)C7T—H7TC0.9800
Zn1B—N2B1.930 (4)O1TH—C4TH1.570 (18)
Zn1B—N1B2.126 (4)O1TH—C1TH1.67 (2)
Zn1B—N3B2.133 (4)C1TH—C2TH1.47 (2)
Si1B—N2B1.711 (4)C1TH—H1TA0.9900
Si1B—C10B1.893 (6)C1TH—H1TB0.9900
Si1B—C13B1.903 (6)C2TH—C3TH1.528 (17)
Si1B—C7B1.911 (6)C2TH—H2TA0.9900
Si2B—N4B1.716 (5)C2TH—H2TB0.9900
Si2B—C28B1.889 (5)C3TH—C4TH1.499 (18)
Si2B—C22B1.898 (6)C3TH—H3TA0.9900
Si2B—C25B1.914 (6)C3TH—H3TB0.9900
N1B—C1B1.343 (7)C4TH—H4TA0.9900
N1B—C5B1.348 (6)C4TH—H4TB0.9900
N4A—Zn1A—N2A145.65 (19)C20B—N3B—Zn1B110.4 (3)
N4A—Zn1A—N3A84.49 (17)C16B—N3B—Zn1B131.5 (4)
N2A—Zn1A—N3A117.97 (18)C21B—N4B—Si2B116.4 (4)
N4A—Zn1A—N1A119.56 (18)C21B—N4B—Zn1B114.3 (3)
N2A—Zn1A—N1A83.91 (17)Si2B—N4B—Zn1B129.3 (2)
N3A—Zn1A—N1A99.84 (16)N1B—C1B—C2B123.1 (5)
N2A—Si1A—C13A107.1 (3)N1B—C1B—H1BA118.4
N2A—Si1A—C7A109.6 (2)C2B—C1B—H1BA118.4
C13A—Si1A—C7A114.0 (3)C1B—C2B—C3B118.3 (5)
N2A—Si1A—C10A112.8 (3)C1B—C2B—H2BA120.8
C13A—Si1A—C10A107.6 (3)C3B—C2B—H2BA120.8
C7A—Si1A—C10A105.9 (3)C4B—C3B—C2B118.4 (5)
N4A—Si2A—C25A115.0 (2)C4B—C3B—H3BA120.8
N4A—Si2A—C28A105.5 (2)C2B—C3B—H3BA120.8
C25A—Si2A—C28A107.6 (3)C3B—C4B—C5B120.3 (5)
N4A—Si2A—C22A110.8 (3)C3B—C4B—H4BA119.9
C25A—Si2A—C22A104.7 (3)C5B—C4B—H4BA119.9
C28A—Si2A—C22A113.5 (3)N1B—C5B—C4B120.8 (5)
C5A—N1A—C1A118.9 (5)N1B—C5B—C6B117.4 (4)
C5A—N1A—Zn1A109.9 (4)C4B—C5B—C6B121.8 (5)
C1A—N1A—Zn1A131.2 (4)N2B—C6B—C5B113.3 (4)
C6A—N2A—Si1A118.1 (4)N2B—C6B—H6BA108.9
C6A—N2A—Zn1A114.2 (3)C5B—C6B—H6BA108.9
Si1A—N2A—Zn1A127.7 (2)N2B—C6B—H6BB108.9
C16A—N3A—C20A120.2 (5)C5B—C6B—H6BB108.9
C16A—N3A—Zn1A130.4 (4)H6BA—C6B—H6BB107.7
C20A—N3A—Zn1A109.4 (3)C8B—C7B—C9B109.6 (5)
C21A—N4A—Si2A118.3 (3)C8B—C7B—Si1B114.2 (4)
C21A—N4A—Zn1A114.4 (3)C9B—C7B—Si1B113.6 (4)
Si2A—N4A—Zn1A127.3 (2)C8B—C7B—H7BA106.2
N1A—C1A—C2A122.4 (6)C9B—C7B—H7BA106.2
N1A—C1A—H1AA118.8Si1B—C7B—H7BA106.2
C2A—C1A—H1AA118.8C7B—C8B—H8BA109.5
C1A—C2A—C3A119.5 (5)C7B—C8B—H8BB109.5
C1A—C2A—H2AA120.3H8BA—C8B—H8BB109.5
C3A—C2A—H2AA120.3C7B—C8B—H8BC109.5
C2A—C3A—C4A118.9 (5)H8BA—C8B—H8BC109.5
C2A—C3A—H3AA120.5H8BB—C8B—H8BC109.5
C4A—C3A—H3AA120.5C7B—C9B—H9BA109.5
C5A—C4A—C3A118.8 (5)C7B—C9B—H9BB109.5
C5A—C4A—H4AA120.6H9BA—C9B—H9BB109.5
C3A—C4A—H4AA120.6C7B—C9B—H9BC109.5
N1A—C5A—C4A121.5 (5)H9BA—C9B—H9BC109.5
N1A—C5A—C6A117.0 (5)H9BB—C9B—H9BC109.5
C4A—C5A—C6A121.5 (5)C12B—C10B—C11B108.4 (6)
N2A—C6A—C5A114.8 (5)C12B—C10B—Si1B112.4 (4)
N2A—C6A—H6AA108.6C11B—C10B—Si1B114.0 (4)
C5A—C6A—H6AA108.6C12B—C10B—H10B107.3
N2A—C6A—H6AB108.6C11B—C10B—H10B107.3
C5A—C6A—H6AB108.6Si1B—C10B—H10B107.3
H6AA—C6A—H6AB107.5C10B—C11B—H11D109.5
C9A—C7A—C8A111.3 (6)C10B—C11B—H11E109.5
C9A—C7A—Si1A113.6 (4)H11D—C11B—H11E109.5
C8A—C7A—Si1A114.2 (4)C10B—C11B—H11F109.5
C9A—C7A—H7AA105.6H11D—C11B—H11F109.5
C8A—C7A—H7AA105.6H11E—C11B—H11F109.5
Si1A—C7A—H7AA105.6C10B—C12B—H12D109.5
C7A—C8A—H8AA109.5C10B—C12B—H12E109.5
C7A—C8A—H8AB109.5H12D—C12B—H12E109.5
H8AA—C8A—H8AB109.5C10B—C12B—H12F109.5
C7A—C8A—H8AC109.5H12D—C12B—H12F109.5
H8AA—C8A—H8AC109.5H12E—C12B—H12F109.5
H8AB—C8A—H8AC109.5C15B—C13B—C14B109.9 (6)
C7A—C9A—H9AA109.5C15B—C13B—Si1B113.6 (4)
C7A—C9A—H9AB109.5C14B—C13B—Si1B115.6 (4)
H9AA—C9A—H9AB109.5C15B—C13B—H13B105.6
C7A—C9A—H9AC109.5C14B—C13B—H13B105.6
H9AA—C9A—H9AC109.5Si1B—C13B—H13B105.6
H9AB—C9A—H9AC109.5C13B—C14B—H14D109.5
C11A—C10A—C12A109.7 (7)C13B—C14B—H14E109.5
C11A—C10A—Si1A111.6 (5)H14D—C14B—H14E109.5
C12A—C10A—Si1A114.9 (5)C13B—C14B—H14F109.5
C11A—C10A—H10A106.7H14D—C14B—H14F109.5
C12A—C10A—H10A106.7H14E—C14B—H14F109.5
Si1A—C10A—H10A106.7C13B—C15B—H15D109.5
C10A—C11A—H11A109.5C13B—C15B—H15E109.5
C10A—C11A—H11B109.5H15D—C15B—H15E109.5
H11A—C11A—H11B109.5C13B—C15B—H15F109.5
C10A—C11A—H11C109.5H15D—C15B—H15F109.5
H11A—C11A—H11C109.5H15E—C15B—H15F109.5
H11B—C11A—H11C109.5N3B—C16B—C17B123.9 (5)
C10A—C12A—H12A109.5N3B—C16B—H16B118.1
C10A—C12A—H12B109.5C17B—C16B—H16B118.1
H12A—C12A—H12B109.5C18B—C17B—C16B117.6 (6)
C10A—C12A—H12C109.5C18B—C17B—H17B121.2
H12A—C12A—H12C109.5C16B—C17B—H17B121.2
H12B—C12A—H12C109.5C19B—C18B—C17B119.9 (6)
C15A—C13A—C14A107.5 (6)C19B—C18B—H18B120.1
C15A—C13A—Si1A115.9 (5)C17B—C18B—H18B120.1
C14A—C13A—Si1A114.8 (5)C18B—C19B—C20B120.0 (5)
C15A—C13A—H13A105.9C18B—C19B—H19B120.0
C14A—C13A—H13A105.9C20B—C19B—H19B120.0
Si1A—C13A—H13A105.9N3B—C20B—C19B120.5 (5)
C13A—C14A—H14A109.5N3B—C20B—C21B117.4 (5)
C13A—C14A—H14B109.5C19B—C20B—C21B122.1 (5)
H14A—C14A—H14B109.5N4B—C21B—C20B113.7 (5)
C13A—C14A—H14C109.5N4B—C21B—H21C108.8
H14A—C14A—H14C109.5C20B—C21B—H21C108.8
H14B—C14A—H14C109.5N4B—C21B—H21D108.8
C13A—C15A—H15A109.5C20B—C21B—H21D108.8
C13A—C15A—H15B109.5H21C—C21B—H21D107.7
H15A—C15A—H15B109.5C23B—C22B—C24B107.5 (5)
C13A—C15A—H15C109.5C23B—C22B—Si2B115.1 (4)
H15A—C15A—H15C109.5C24B—C22B—Si2B112.6 (4)
H15B—C15A—H15C109.5C23B—C22B—H22B107.1
N3A—C16A—C17A122.9 (6)C24B—C22B—H22B107.1
N3A—C16A—H16A118.6Si2B—C22B—H22B107.1
C17A—C16A—H16A118.6C22B—C23B—H23D109.5
C18A—C17A—C16A117.3 (6)C22B—C23B—H23E109.5
C18A—C17A—H17A121.4H23D—C23B—H23E109.5
C16A—C17A—H17A121.4C22B—C23B—H23F109.5
C19A—C18A—C17A120.1 (6)H23D—C23B—H23F109.5
C19A—C18A—H18A119.9H23E—C23B—H23F109.5
C17A—C18A—H18A119.9C22B—C24B—H24D109.5
C18A—C19A—C20A119.2 (5)C22B—C24B—H24E109.5
C18A—C19A—H19A120.4H24D—C24B—H24E109.5
C20A—C19A—H19A120.4C22B—C24B—H24F109.5
N3A—C20A—C19A120.3 (5)H24D—C24B—H24F109.5
N3A—C20A—C21A118.4 (5)H24E—C24B—H24F109.5
C19A—C20A—C21A121.2 (5)C26B—C25B—C27B111.8 (5)
N4A—C21A—C20A113.0 (4)C26B—C25B—Si2B111.8 (4)
N4A—C21A—H21A109.0C27B—C25B—Si2B118.1 (4)
C20A—C21A—H21A109.0C26B—C25B—H25B104.6
N4A—C21A—H21B109.0C27B—C25B—H25B104.6
C20A—C21A—H21B109.0Si2B—C25B—H25B104.6
H21A—C21A—H21B107.8C25B—C26B—H26D109.5
C23A—C22A—C24A111.9 (5)C25B—C26B—H26E109.5
C23A—C22A—Si2A114.1 (5)H26D—C26B—H26E109.5
C24A—C22A—Si2A113.6 (4)C25B—C26B—H26F109.5
C23A—C22A—H22A105.4H26D—C26B—H26F109.5
C24A—C22A—H22A105.4H26E—C26B—H26F109.5
Si2A—C22A—H22A105.4C25B—C27B—H27D109.5
C22A—C23A—H23A109.5C25B—C27B—H27E109.5
C22A—C23A—H23B109.5H27D—C27B—H27E109.5
H23A—C23A—H23B109.5C25B—C27B—H27F109.5
C22A—C23A—H23C109.5H27D—C27B—H27F109.5
H23A—C23A—H23C109.5H27E—C27B—H27F109.5
H23B—C23A—H23C109.5C29B—C28B—C30B109.6 (5)
C22A—C24A—H24A109.5C29B—C28B—Si2B115.8 (4)
C22A—C24A—H24B109.5C30B—C28B—Si2B114.5 (4)
H24A—C24A—H24B109.5C29B—C28B—H28B105.3
C22A—C24A—H24C109.5C30B—C28B—H28B105.3
H24A—C24A—H24C109.5Si2B—C28B—H28B105.3
H24B—C24A—H24C109.5C28B—C29B—H29D109.5
C26A—C25A—C27A106.7 (5)C28B—C29B—H29E109.5
C26A—C25A—Si2A114.5 (4)H29D—C29B—H29E109.5
C27A—C25A—Si2A111.3 (4)C28B—C29B—H29F109.5
C26A—C25A—H25A108.0H29D—C29B—H29F109.5
C27A—C25A—H25A108.0H29E—C29B—H29F109.5
Si2A—C25A—H25A108.0C28B—C30B—H30D109.5
C25A—C26A—H26A109.5C28B—C30B—H30E109.5
C25A—C26A—H26B109.5H30D—C30B—H30E109.5
H26A—C26A—H26B109.5C28B—C30B—H30F109.5
C25A—C26A—H26C109.5H30D—C30B—H30F109.5
H26A—C26A—H26C109.5H30E—C30B—H30F109.5
H26B—C26A—H26C109.5C6T—C1T—C2T117.2 (10)
C25A—C27A—H27A109.5C6T—C1T—C7T119.8 (13)
C25A—C27A—H27B109.5C2T—C1T—C7T123.0 (12)
H27A—C27A—H27B109.5C3T—C2T—C1T120.9 (11)
C25A—C27A—H27C109.5C3T—C2T—H2TC119.5
H27A—C27A—H27C109.5C1T—C2T—H2TC119.5
H27B—C27A—H27C109.5C2T—C3T—C4T122.3 (11)
C30A—C28A—C29A109.4 (5)C2T—C3T—H3TC118.8
C30A—C28A—Si2A112.8 (4)C4T—C3T—H3TC118.8
C29A—C28A—Si2A116.1 (4)C3T—C4T—C5T118.5 (11)
C30A—C28A—H28A105.9C3T—C4T—H4TC120.7
C29A—C28A—H28A105.9C5T—C4T—H4TC120.7
Si2A—C28A—H28A105.9C4T—C5T—C6T119.3 (10)
C28A—C29A—H29A109.5C4T—C5T—H5TA120.3
C28A—C29A—H29B109.5C6T—C5T—H5TA120.3
H29A—C29A—H29B109.5C1T—C6T—C5T121.5 (11)
C28A—C29A—H29C109.5C1T—C6T—H6TA119.3
H29A—C29A—H29C109.5C5T—C6T—H6TA119.3
H29B—C29A—H29C109.5C1T—C7T—H7TA109.5
C28A—C30A—H30A109.5C1T—C7T—H7TB109.5
C28A—C30A—H30B109.5H7TA—C7T—H7TB109.5
H30A—C30A—H30B109.5C1T—C7T—H7TC109.5
C28A—C30A—H30C109.5H7TA—C7T—H7TC109.5
H30A—C30A—H30C109.5H7TB—C7T—H7TC109.5
H30B—C30A—H30C109.5C4TH—O1TH—C1TH107.6 (11)
N4B—Zn1B—N2B143.02 (19)C2TH—C1TH—O1TH105.2 (12)
N4B—Zn1B—N1B120.98 (18)C2TH—C1TH—H1TA110.7
N2B—Zn1B—N1B83.74 (16)O1TH—C1TH—H1TA110.7
N4B—Zn1B—N3B83.69 (17)C2TH—C1TH—H1TB110.7
N2B—Zn1B—N3B122.00 (18)O1TH—C1TH—H1TB110.7
N1B—Zn1B—N3B98.73 (17)H1TA—C1TH—H1TB108.8
N2B—Si1B—C10B114.9 (2)C1TH—C2TH—C3TH109.7 (11)
N2B—Si1B—C13B105.8 (2)C1TH—C2TH—H2TA109.7
C10B—Si1B—C13B107.3 (3)C3TH—C2TH—H2TA109.7
N2B—Si1B—C7B110.1 (2)C1TH—C2TH—H2TB109.7
C10B—Si1B—C7B105.1 (3)C3TH—C2TH—H2TB109.7
C13B—Si1B—C7B113.8 (3)H2TA—C2TH—H2TB108.2
N4B—Si2B—C28B106.5 (2)C4TH—C3TH—C2TH113.1 (11)
N4B—Si2B—C22B110.9 (2)C4TH—C3TH—H3TA109.0
C28B—Si2B—C22B113.4 (3)C2TH—C3TH—H3TA109.0
N4B—Si2B—C25B108.9 (2)C4TH—C3TH—H3TB109.0
C28B—Si2B—C25B110.4 (3)C2TH—C3TH—H3TB109.0
C22B—Si2B—C25B106.7 (3)H3TA—C3TH—H3TB107.8
C1B—N1B—C5B119.1 (5)C3TH—C4TH—O1TH104.5 (11)
C1B—N1B—Zn1B130.8 (4)C3TH—C4TH—H4TA110.9
C5B—N1B—Zn1B110.1 (3)O1TH—C4TH—H4TA110.9
C6B—N2B—Si1B119.2 (3)C3TH—C4TH—H4TB110.9
C6B—N2B—Zn1B113.9 (3)O1TH—C4TH—H4TB110.9
Si1B—N2B—Zn1B126.9 (2)H4TA—C4TH—H4TB108.9
C20B—N3B—C16B118.1 (5)
Acknowledgements top

We thank the Deutsche Forschungsgemeinschaft (DFG, Bonn–Band Godesberg, Germany) for generous financial support. We also acknowledge funding by the Fonds der Chemischen Industrie (Frankfurt/Main, Germany).

references
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