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Acta Cryst. (2007). E63, m2444    [ doi:10.1107/S1600536807042018 ]

Tetra-[mu]3-tert-butoxo-tetrakis[ethylzinc(II)]

S. C. Moratti and J. Simpson

Abstract top

In the structure of the title compound, [Zn4(C2H5)4(C4H9O)4], the Zn and O atoms form a distorted cubic arrangement with each Zn atom carrying an ethyl substituent. A tert-butyl group is bound to each of the O atoms. Coordination about the Zn and O atoms is distorted tetrahedral. Three of the four ethyl substituents are disordered over two positions; the site occupany factors are ca 0.56 and 0.44. There are no significant close contacts in the crystal structure.

Comment top

Zinc oxide films show promise in a wide variety of optoelectronic devices such as photovoltaics (Delahoy & Cherny, 1996) and sensors (Dimova-Malinovska 2005) due to their electrical conductivity and transparency. While purely inorganic sol-gel, electrochemical or CVD techniques are often employed to make zinc oxide films, another technique is to use organozinc compounds that hydrolyse before or after film deposition. For instance, composite films of zinc oxide have been produced by the spincoating and subsequent hydrolysis of THF solutions of diethyl zinc (Beek et al., 2005). The THF solvent was apparently able to stabilize the otherwise reactive organozinc in order to form good films. In an attempt to use t-butanol as a solvent for zinc oxide thin film deposition with diethyl zinc, we found that large needles of the partially alcoholyzed zinc title compound, (I), crystallized out after a few minutes.

In the structure of (I) (Fig 1) each Zn atom carries an ethyl substituent and binds to three t-butoxo O atoms. The resulting tetrameric unit is a distorted cube with the Zn and O atoms in distorted tetrahedral arrangements and Zn—O distances in the range 2.084 (4)Å to 2.055 (4)Å [mean 2.073 (6) Å]. This compares with a mean value of 2.07 (2)Å for the 11 other cubic tetrakis(µ3-alkyloxo)tetra-alkyl-tetrazinc complexes reported previously (Bond et al., 2001; Herman et al., 1992; Polarz et al., 2005 and Shearer & Spencer, 1980; Boyle et al., 2004). In the crystal structure of (I) there are no significant close contacts with the shortest intermolecular C62···H32Di (i = x, y − 1, z) distance being 3.02 Å.

Related literature top

For background on zinc oxide films see Delahoy & Cherny (1996); Dimova-Malinovska (2005); Beek et al. (2005). Structures of a number of related tetrakis(µ3-alkyloxo)tetra-alkyl-tetrazinc complexes have been reported previously: Bond et al. (2001); Herman et al. (1992); Polarz et al. (2005); Shearer & Spencer (1980); Boyle et al. (2004).

Experimental top

A solution of diethyl zinc in toluene (1 ml, 15 wt%) was added to dry t-butanol (10 ml) at 303 K. After several minutes, colourless needles of (I) started to form, and the reaction appeared complete after 30 minutes. The crystal was mounted for X-ray data collection immersed in the reaction solvent.

Refinement top

The atoms of the ethyl groups bound to three of the four Zn atoms are disordered over two positions. The C atoms of these disordered groups were refined with common isotropic displacement parameters. The occupancy factor of the major disorder component refined to 0.559 (9). All H-atoms were positioned geometrically and refined using a riding model with C—H = 0.98Å and Uiso(H) = 1.2Ueq(C) for CH2 groups and C—H = 0.97 Å, Uiso(H) = 1.5Ueq(C) for CH3groups.

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997), enCIFer (Allen et al., 2004) and PLATON (Spek, 2003).

Figures top
[Figure 1] Fig. 1. The structure of (I) with displacement ellipsoids drawn at the 30% probability level for the non-hydrogen atoms. For clarity, only the principal disorder components of the disordered Zn bound ethyl groups are shown.
Tetra-µ3-tert-butoxo-tetrakis[ethylzinc(II)] top
Crystal data top
[Zn4(C2H5)4(C4H9O)4]Z = 2
Mr = 670.17F000 = 704
Triclinic, P1Dx = 1.387 Mg m−3
Hall symbol: -P 1Mo Kα radiation
λ = 0.71073 Å
a = 10.0097 (3) ÅCell parameters from 13011 reflections
b = 10.1372 (3) Åθ = 1.0–25.0º
c = 17.7908 (7) ŵ = 2.98 mm−1
α = 94.740 (2)ºT = 220 (2) K
β = 101.120 (2)ºNeedle, colourless
γ = 113.086 (2)º0.23 × 0.07 × 0.02 mm
V = 1604.25 (9) Å3
Data collection top
Nonius KappaCCD
diffractometer		4047 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.068
T = 220(2) Kθmax = 25.1º
Thin–slice ω and φ scansθmin = 3.5º
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)		h = −11→11
Tmin = 0.808, Tmax = 0.985k = −12→12
13938 measured reflectionsl = −19→21
5615 independent reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.061H-atom parameters constrained
wR(F2) = 0.169  w = 1/[σ2(Fo2) + (0.0757P)2 + 2.8014P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.001
5615 reflectionsΔρmax = 0.63 e Å−3
293 parametersΔρmin = −0.70 e Å−3
21 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Zn4(C2H5)4(C4H9O)4]γ = 113.086 (2)º
Mr = 670.17V = 1604.25 (9) Å3
Triclinic, P1Z = 2
a = 10.0097 (3) ÅMo Kα
b = 10.1372 (3) ŵ = 2.98 mm−1
c = 17.7908 (7) ÅT = 220 (2) K
α = 94.740 (2)º0.23 × 0.07 × 0.02 mm
β = 101.120 (2)º
Data collection top
Nonius KappaCCD
diffractometer		5615 independent reflections
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)		4047 reflections with I > 2σ(I)
Tmin = 0.808, Tmax = 0.985Rint = 0.068
13938 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.06121 restraints
wR(F2) = 0.169H-atom parameters constrained
S = 1.06Δρmax = 0.63 e Å−3
5615 reflectionsΔρmin = −0.70 e Å−3
293 parameters
Special details top

Experimental. Three of the four ethyl groups are disordered, each over two sites. Common, isotropic displacement parameters were applied to the carbon atoms in all four of these groups.

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)
Zn100.35356 (8)0.28721 (8)0.66335 (4)0.0558 (2)
Zn200.33809 (8)0.13653 (8)0.80705 (5)0.0581 (2)
Zn300.54499 (9)0.11431 (9)0.70330 (5)0.0634 (3)
Zn400.62433 (8)0.40687 (8)0.80647 (4)0.0569 (2)
C110.2445 (12)0.3324 (13)0.5710 (5)0.111 (4)
H11A0.32130.38800.54520.133*
H11B0.18390.23870.53620.133*
C120.1518 (14)0.4034 (14)0.5699 (6)0.134 (5)
H12A0.11410.41100.51670.200*
H12B0.20760.50020.60080.200*
H12C0.06840.34910.59120.200*
C210.203 (3)−0.003 (3)0.8655 (17)0.095 (2)*0.441 (9)
H21A0.1783−0.10230.84050.114*0.441 (9)
H21B0.26360.01090.91830.114*0.441 (9)
C220.068 (3)0.003 (3)0.8727 (19)0.140 (4)*0.441 (9)
H22A0.0062−0.08520.88890.209*0.441 (9)
H22B0.01470.01150.82290.209*0.441 (9)
H22C0.08920.08670.91120.209*0.441 (9)
C21'0.216 (2)0.039 (2)0.8726 (13)0.095 (2)*0.559 (9)
H21C0.1217−0.02740.83580.114*0.559 (9)
H21D0.2624−0.02280.89360.114*0.559 (9)
C22'0.168 (3)0.084 (3)0.9346 (13)0.140 (4)*0.559 (9)
H22D0.11860.00080.95800.209*0.559 (9)
H22E0.09880.12610.91590.209*0.559 (9)
H22F0.25410.15620.97310.209*0.559 (9)
C310.583 (2)−0.043 (3)0.6554 (14)0.095 (2)*0.441 (9)
H31A0.5468−0.12550.68240.114*0.441 (9)
H31B0.5233−0.07440.60150.114*0.441 (9)
C320.733 (3)−0.014 (4)0.6544 (18)0.140 (4)*0.441 (9)
H32A0.76520.05380.61920.209*0.441 (9)
H32B0.7392−0.10390.63680.209*0.441 (9)
H32C0.79680.02850.70640.209*0.441 (9)
C31'0.656 (2)0.0269 (19)0.6527 (11)0.095 (2)*0.559 (9)
H31C0.62780.02640.59680.114*0.559 (9)
H31D0.76300.09250.67110.114*0.559 (9)
C32'0.642 (3)−0.116 (2)0.6621 (14)0.140 (4)*0.559 (9)
H32D0.6983−0.14500.63100.209*0.559 (9)
H32E0.5367−0.18340.64510.209*0.559 (9)
H32F0.6794−0.11650.71640.209*0.559 (9)
C410.764 (3)0.586 (3)0.8822 (14)0.095 (2)*0.441 (9)
H41A0.78420.66310.85080.142*0.441 (9)
H41B0.70250.60250.91500.142*0.441 (9)
C420.901 (3)0.622 (3)0.9333 (17)0.140 (4)*0.441 (9)
H42A0.95540.72670.94540.209*0.441 (9)
H42B0.95780.57940.90980.209*0.441 (9)
H42C0.88450.58410.98080.209*0.441 (9)
C41'0.794 (2)0.591 (2)0.8590 (11)0.095 (2)*0.559 (9)
H41C0.79610.65920.82280.142*0.559 (9)
H41D0.76300.62490.90320.142*0.559 (9)
C42'0.942 (2)0.616 (3)0.8881 (15)0.140 (4)*0.559 (9)
H42D0.99850.71660.91420.209*0.559 (9)
H42E0.98390.59800.84560.209*0.559 (9)
H42F0.94760.55170.92470.209*0.559 (9)
O500.3256 (5)0.0832 (4)0.6901 (2)0.0569 (10)
C500.2051 (10)−0.0496 (8)0.6407 (5)0.087 (2)
C510.2095 (14)−0.1776 (10)0.6775 (7)0.133 (4)
H51A0.1862−0.17140.72780.199*
H51B0.3087−0.17580.68420.199*
H51C0.1363−0.26760.64410.199*
C520.2303 (13)−0.0573 (11)0.5584 (5)0.123 (4)
H52A0.23100.02890.53820.184*
H52B0.1502−0.14330.52480.184*
H52C0.3255−0.06240.56010.184*
C530.0588 (10)−0.0402 (12)0.6401 (7)0.117 (3)
H53A0.0449−0.03550.69260.176*
H53B−0.0227−0.12550.60680.176*
H53C0.05960.04670.62060.176*
O600.5792 (5)0.3255 (5)0.6893 (2)0.0554 (10)
C600.6733 (9)0.4022 (10)0.6402 (5)0.083 (2)
C610.8320 (10)0.4144 (14)0.6760 (7)0.133 (4)
H61A0.85910.45030.73150.200*
H61B0.90330.48130.65180.200*
H61C0.83330.31930.66710.200*
C620.6752 (12)0.5518 (10)0.6416 (6)0.109 (3)
H62A0.57430.54290.62140.164*
H62B0.73930.60420.60960.164*
H62C0.71330.60460.69470.164*
C630.6096 (12)0.3108 (12)0.5580 (5)0.107 (3)
H63A0.50510.29250.54010.160*
H63B0.61810.21880.55900.160*
H63C0.66550.36320.52290.160*
O700.3941 (4)0.3452 (4)0.7825 (2)0.0483 (9)
C700.3316 (8)0.4399 (8)0.8144 (4)0.0668 (18)
C710.3813 (12)0.4622 (11)0.9020 (5)0.100 (3)
H71A0.48960.51240.91840.149*
H71B0.34880.36840.91880.149*
H71C0.33730.52020.92510.149*
C720.3888 (11)0.5799 (9)0.7851 (5)0.091 (3)
H72A0.36900.56030.72880.137*
H72B0.49590.63180.80720.137*
H72C0.33880.63890.80020.137*
C730.1627 (9)0.3624 (10)0.7861 (5)0.086 (2)
H73A0.13420.34990.72980.129*
H73B0.11750.41990.80840.129*
H73C0.12820.26780.80190.129*
O800.5643 (5)0.1904 (4)0.8183 (2)0.0527 (10)
C800.6518 (9)0.1508 (8)0.8808 (4)0.0694 (19)
C810.8102 (9)0.2040 (11)0.8726 (5)0.098 (3)
H81A0.81130.15780.82290.147*
H81B0.86980.17980.91440.147*
H81C0.85190.30880.87540.147*
C820.6450 (11)0.2222 (11)0.9572 (4)0.091 (3)
H82A0.69200.32720.96140.136*
H82B0.69740.19330.99990.136*
H82C0.54120.19170.95920.136*
C830.5779 (12)−0.0139 (10)0.8734 (6)0.099 (3)
H83A0.5809−0.05890.82380.148*
H83B0.4745−0.04430.87620.148*
H83C0.6311−0.04360.91530.148*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn100.0630 (5)0.0626 (5)0.0470 (4)0.0363 (4)0.0053 (3)0.0042 (3)
Zn200.0594 (5)0.0578 (5)0.0626 (5)0.0271 (4)0.0198 (4)0.0144 (4)
Zn300.0773 (6)0.0697 (5)0.0595 (5)0.0495 (4)0.0165 (4)0.0029 (4)
Zn400.0526 (4)0.0529 (4)0.0584 (5)0.0211 (3)0.0034 (3)0.0019 (3)
C110.148 (9)0.158 (10)0.062 (5)0.115 (8)−0.001 (5)0.010 (6)
C120.170 (11)0.211 (13)0.078 (6)0.149 (11)0.008 (7)0.032 (7)
O500.066 (3)0.042 (2)0.056 (3)0.023 (2)0.004 (2)−0.0074 (19)
C500.083 (6)0.053 (4)0.095 (6)0.016 (4)−0.003 (4)−0.015 (4)
C510.152 (10)0.052 (5)0.155 (11)0.018 (6)0.013 (8)−0.001 (6)
C520.153 (10)0.100 (7)0.078 (6)0.044 (7)−0.012 (6)−0.039 (6)
C530.065 (5)0.115 (8)0.130 (9)0.015 (5)−0.004 (5)−0.012 (7)
O600.060 (3)0.063 (3)0.053 (2)0.031 (2)0.022 (2)0.018 (2)
C600.078 (5)0.101 (6)0.089 (6)0.041 (5)0.043 (4)0.041 (5)
C610.068 (6)0.189 (12)0.152 (10)0.042 (7)0.058 (6)0.063 (9)
C620.129 (8)0.087 (7)0.123 (8)0.038 (6)0.055 (7)0.062 (6)
C630.130 (8)0.148 (9)0.069 (6)0.072 (7)0.050 (6)0.032 (6)
O700.056 (2)0.050 (2)0.046 (2)0.0334 (19)0.0097 (18)−0.0023 (18)
C700.081 (5)0.070 (5)0.071 (5)0.053 (4)0.023 (4)0.006 (4)
C710.135 (8)0.123 (8)0.068 (5)0.089 (7)0.021 (5)−0.007 (5)
C720.116 (7)0.068 (5)0.103 (7)0.057 (5)0.023 (5)0.001 (5)
C730.086 (6)0.112 (7)0.099 (6)0.074 (5)0.036 (5)0.025 (5)
O800.060 (2)0.058 (3)0.049 (2)0.036 (2)0.0082 (19)0.009 (2)
C800.087 (5)0.078 (5)0.060 (4)0.055 (4)0.011 (4)0.013 (4)
C810.084 (6)0.132 (8)0.098 (6)0.073 (6)0.003 (5)0.026 (6)
C820.110 (7)0.123 (7)0.054 (5)0.066 (6)0.013 (4)0.019 (5)
C830.137 (8)0.087 (6)0.101 (7)0.072 (6)0.029 (6)0.043 (5)
Geometric parameters (Å, °) top
Zn10—C111.981 (7)C42—H42C0.9700
Zn10—O702.069 (4)C41'—C42'1.387 (14)
Zn10—O502.084 (4)C41'—H41C0.9800
Zn10—O602.084 (4)C41'—H41D0.9800
Zn10—Zn203.0831 (10)C42'—H42D0.9700
Zn10—Zn403.0903 (10)C42'—H42E0.9700
Zn10—Zn303.0925 (10)C42'—H42F0.9700
Zn20—C21'1.90 (2)O50—C501.470 (9)
Zn20—C212.05 (3)C50—C531.503 (12)
Zn20—O502.072 (4)C50—C511.512 (13)
Zn20—O702.072 (4)C50—C521.535 (13)
Zn20—O802.074 (4)C51—H51A0.9700
Zn20—Zn303.0852 (10)C51—H51B0.9700
Zn20—Zn403.0949 (11)C51—H51C0.9700
Zn30—C311.95 (2)C52—H52A0.9700
Zn30—C31'1.967 (18)C52—H52B0.9700
Zn30—O502.055 (4)C52—H52C0.9700
Zn30—O802.070 (4)C53—H53A0.9700
Zn30—O602.075 (4)C53—H53B0.9700
Zn30—Zn403.0799 (11)C53—H53C0.9700
Zn40—C41'1.96 (2)O60—C601.454 (8)
Zn40—C411.98 (3)C60—C621.507 (12)
Zn40—O602.071 (4)C60—C631.535 (13)
Zn40—O802.077 (4)C60—C611.545 (13)
Zn40—O702.081 (4)C61—H61A0.9700
C11—C121.378 (10)C61—H61B0.9700
C11—H11A0.9800C61—H61C0.9700
C11—H11B0.9800C62—H62A0.9700
C12—H12A0.9700C62—H62B0.9700
C12—H12B0.9700C62—H62C0.9700
C12—H12C0.9700C63—H63A0.9700
C21—C221.409 (16)C63—H63B0.9700
C21—H21A0.9800C63—H63C0.9700
C21—H21B0.9800O70—C701.467 (7)
C22—H22A0.9700C70—C721.488 (11)
C22—H22B0.9700C70—C711.511 (11)
C22—H22C0.9700C70—C731.515 (11)
C21'—C22'1.390 (15)C71—H71A0.9700
C21'—H21C0.9800C71—H71B0.9700
C21'—H21D0.9800C71—H71C0.9700
C22'—H22D0.9700C72—H72A0.9700
C22'—H22E0.9700C72—H72B0.9700
C22'—H22F0.9700C72—H72C0.9700
C31—C321.410 (15)C73—H73A0.9700
C31—H31A0.9800C73—H73B0.9700
C31—H31B0.9800C73—H73C0.9700
C32—H32A0.9700O80—C801.462 (8)
C32—H32B0.9700C80—C811.502 (11)
C32—H32C0.9700C80—C821.513 (10)
C31'—C32'1.424 (14)C80—C831.519 (11)
C31'—H31C0.9800C81—H81A0.9700
C31'—H31D0.9800C81—H81B0.9700
C32'—H32D0.9700C81—H81C0.9700
C32'—H32E0.9700C82—H82A0.9700
C32'—H32F0.9700C82—H82B0.9700
C41—C421.378 (16)C82—H82C0.9700
C41—H41A0.9800C83—H83A0.9700
C41—H41B0.9800C83—H83B0.9700
C42—H42A0.9700C83—H83C0.9700
C42—H42B0.9700
C11—Zn10—O70135.1 (3)H31C—C31'—H31D106.9
C11—Zn10—O50128.1 (4)C31'—C32'—H32D109.5
O70—Zn10—O5083.44 (16)C31'—C32'—H32E109.5
C11—Zn10—O60126.2 (4)H32D—C32'—H32E109.5
O70—Zn10—O6083.43 (15)C31'—C32'—H32F109.5
O50—Zn10—O6082.85 (17)H32D—C32'—H32F109.5
C11—Zn10—Zn20147.8 (4)H32E—C32'—H32F109.5
O70—Zn10—Zn2041.93 (11)C42—C41—Zn40133 (2)
O50—Zn10—Zn2041.96 (11)C42—C41—H41A104.1
O60—Zn10—Zn2085.60 (11)Zn40—C41—H41A104.1
C11—Zn10—Zn40146.2 (4)C42—C41—H41B104.1
O70—Zn10—Zn4042.01 (11)Zn40—C41—H41B104.1
O50—Zn10—Zn4085.08 (12)H41A—C41—H41B105.5
O60—Zn10—Zn4041.78 (11)C42'—C41'—Zn40128.3 (17)
Zn20—Zn10—Zn4060.17 (2)C42'—C41'—H41C105.2
C11—Zn10—Zn30139.6 (3)Zn40—C41'—H41C105.2
O70—Zn10—Zn3085.28 (10)C42'—C41'—H41D105.2
O50—Zn10—Zn3041.31 (12)Zn40—C41'—H41D105.2
O60—Zn10—Zn3041.86 (12)H41C—C41'—H41D105.9
Zn20—Zn10—Zn3059.94 (2)C41'—C42'—H42D109.5
Zn40—Zn10—Zn3059.76 (2)C41'—C42'—H42E109.5
C21'—Zn20—C2110.8 (11)H42D—C42'—H42E109.5
C21'—Zn20—O50131.8 (7)C41'—C42'—H42F109.5
C21—Zn20—O50122.8 (8)H42D—C42'—H42F109.5
C21'—Zn20—O70129.5 (6)H42E—C42'—H42F109.5
C21—Zn20—O70139.6 (7)C50—O50—Zn30119.6 (4)
O50—Zn20—O7083.65 (15)C50—O50—Zn20121.9 (5)
C21'—Zn20—O80128.2 (7)Zn30—O50—Zn2096.74 (18)
C21—Zn20—O80126.1 (7)C50—O50—Zn10120.3 (4)
O50—Zn20—O8082.95 (16)Zn30—O50—Zn1096.68 (18)
O70—Zn20—O8083.41 (15)Zn20—O50—Zn1095.78 (16)
C21'—Zn20—Zn10146.1 (7)O50—C50—C53107.7 (7)
C21—Zn20—Zn10146.4 (8)O50—C50—C51107.5 (7)
O50—Zn20—Zn1042.26 (11)C53—C50—C51109.6 (9)
O70—Zn20—Zn1041.85 (10)O50—C50—C52108.6 (7)
O80—Zn20—Zn1085.65 (11)C53—C50—C52110.7 (9)
C21'—Zn20—Zn30145.0 (6)C51—C50—C52112.5 (8)
C21—Zn20—Zn30134.9 (7)C50—C51—H51A109.5
O50—Zn20—Zn3041.43 (12)C50—C51—H51B109.5
O70—Zn20—Zn3085.42 (10)H51A—C51—H51B109.5
O80—Zn20—Zn3041.85 (11)C50—C51—H51C109.5
Zn10—Zn20—Zn3060.18 (2)H51A—C51—H51C109.5
C21'—Zn20—Zn40143.1 (7)H51B—C51—H51C109.5
C21—Zn20—Zn40150.8 (8)C50—C52—H52A109.5
O50—Zn20—Zn4085.15 (12)C50—C52—H52B109.5
O70—Zn20—Zn4041.92 (11)H52A—C52—H52B109.5
O80—Zn20—Zn4041.82 (11)C50—C52—H52C109.5
Zn10—Zn20—Zn4060.03 (2)H52A—C52—H52C109.5
Zn30—Zn20—Zn4059.78 (3)H52B—C52—H52C109.5
C31—Zn30—C31'23.8 (7)C50—C53—H53A109.5
C31—Zn30—O50117.8 (7)C50—C53—H53B109.5
C31'—Zn30—O50137.0 (6)H53A—C53—H53B109.5
C31—Zn30—O80131.8 (7)C50—C53—H53C109.5
C31'—Zn30—O80133.0 (6)H53A—C53—H53C109.5
O50—Zn30—O8083.45 (16)H53B—C53—H53C109.5
C31—Zn30—O60137.6 (8)C60—O60—Zn40121.5 (5)
C31'—Zn30—O60117.0 (5)C60—O60—Zn30121.6 (4)
O50—Zn30—O6083.77 (16)Zn40—O60—Zn3095.96 (16)
O80—Zn30—O6083.70 (16)C60—O60—Zn10119.4 (4)
C31—Zn30—Zn40156.2 (7)Zn40—O60—Zn1096.10 (16)
C31'—Zn30—Zn40135.4 (6)Zn30—O60—Zn1096.05 (17)
O50—Zn30—Zn4085.81 (11)O60—C60—C62109.1 (7)
O80—Zn30—Zn4042.12 (11)O60—C60—C63107.7 (7)
O60—Zn30—Zn4041.96 (11)C62—C60—C63112.2 (8)
C31—Zn30—Zn20135.3 (7)O60—C60—C61106.2 (7)
C31'—Zn30—Zn20157.2 (5)C62—C60—C61110.1 (9)
O50—Zn30—Zn2041.84 (12)C63—C60—C61111.2 (8)
O80—Zn30—Zn2041.95 (11)C60—C61—H61A109.5
O60—Zn30—Zn2085.69 (11)C60—C61—H61B109.5
Zn40—Zn30—Zn2060.26 (2)H61A—C61—H61B109.5
C31—Zn30—Zn10140.0 (7)C60—C61—H61C109.5
C31'—Zn30—Zn10138.9 (5)H61A—C61—H61C109.5
O50—Zn30—Zn1042.01 (12)H61B—C61—H61C109.5
O80—Zn30—Zn1085.47 (11)C60—C62—H62A109.5
O60—Zn30—Zn1042.09 (11)C60—C62—H62B109.5
Zn40—Zn30—Zn1060.09 (2)H62A—C62—H62B109.5
Zn20—Zn30—Zn1059.88 (2)C60—C62—H62C109.5
C41'—Zn40—C4115.8 (8)H62A—C62—H62C109.5
C41'—Zn40—O60123.3 (6)H62B—C62—H62C109.5
C41—Zn40—O60138.5 (7)C60—C63—H63A109.5
C41'—Zn40—O80134.2 (6)C60—C63—H63B109.5
C41—Zn40—O80128.9 (7)H63A—C63—H63B109.5
O60—Zn40—O8083.66 (16)C60—C63—H63C109.5
C41'—Zn40—O70131.4 (6)H63A—C63—H63C109.5
C41—Zn40—O70120.7 (7)H63B—C63—H63C109.5
O60—Zn40—O7083.49 (15)C70—O70—Zn10120.0 (4)
O80—Zn40—O7083.15 (16)C70—O70—Zn20120.9 (4)
C41'—Zn40—Zn30142.4 (6)Zn10—O70—Zn2096.22 (16)
C41—Zn40—Zn30153.2 (7)C70—O70—Zn40121.1 (4)
O60—Zn40—Zn3042.08 (12)Zn10—O70—Zn4096.26 (15)
O80—Zn40—Zn3041.96 (11)Zn20—O70—Zn4096.35 (15)
O70—Zn40—Zn3085.42 (10)O70—C70—C72108.5 (6)
C41'—Zn40—Zn10140.0 (6)O70—C70—C71107.2 (5)
C41—Zn40—Zn10143.4 (7)C72—C70—C71111.7 (7)
O60—Zn40—Zn1042.12 (11)O70—C70—C73107.4 (6)
O80—Zn40—Zn1085.43 (11)C72—C70—C73110.6 (7)
O70—Zn40—Zn1041.73 (10)C71—C70—C73111.3 (7)
Zn30—Zn40—Zn1060.16 (2)C70—C71—H71A109.5
C41'—Zn40—Zn20151.1 (5)C70—C71—H71B109.5
C41—Zn40—Zn20135.5 (7)H71A—C71—H71B109.5
O60—Zn40—Zn2085.52 (12)C70—C71—H71C109.5
O80—Zn40—Zn2041.76 (11)H71A—C71—H71C109.5
O70—Zn40—Zn2041.72 (11)H71B—C71—H71C109.5
Zn30—Zn40—Zn2059.95 (3)C70—C72—H72A109.5
Zn10—Zn40—Zn2059.80 (2)C70—C72—H72B109.5
C12—C11—Zn10127.3 (7)H72A—C72—H72B109.5
C12—C11—H11A105.5C70—C72—H72C109.5
Zn10—C11—H11A105.5H72A—C72—H72C109.5
C12—C11—H11B105.5H72B—C72—H72C109.5
Zn10—C11—H11B105.5C70—C73—H73A109.5
H11A—C11—H11B106.1C70—C73—H73B109.5
C11—C12—H12A109.5H73A—C73—H73B109.5
C11—C12—H12B109.5C70—C73—H73C109.5
H12A—C12—H12B109.5H73A—C73—H73C109.5
C11—C12—H12C109.5H73B—C73—H73C109.5
H12A—C12—H12C109.5C80—O80—Zn30119.9 (4)
H12B—C12—H12C109.5C80—O80—Zn20121.7 (4)
C22—C21—Zn20121 (2)Zn30—O80—Zn2096.21 (17)
C22—C21—H21A107.2C80—O80—Zn40120.7 (4)
Zn20—C21—H21A107.2Zn30—O80—Zn4095.92 (16)
C22—C21—H21B107.2Zn20—O80—Zn4096.42 (16)
Zn20—C21—H21B107.2O80—C80—C81108.7 (6)
H21A—C21—H21B106.8O80—C80—C82107.5 (5)
C22'—C21'—Zn20134.9 (17)C81—C80—C82111.1 (7)
C22'—C21'—H21C103.4O80—C80—C83107.3 (6)
Zn20—C21'—H21C103.4C81—C80—C83112.0 (7)
C22'—C21'—H21D103.4C82—C80—C83109.9 (7)
Zn20—C21'—H21D103.4C80—C81—H81A109.5
H21C—C21'—H21D105.3C80—C81—H81B109.5
C21'—C22'—H22D109.5H81A—C81—H81B109.5
C21'—C22'—H22E109.5C80—C81—H81C109.5
H22D—C22'—H22E109.5H81A—C81—H81C109.5
C21'—C22'—H22F109.5H81B—C81—H81C109.5
H22D—C22'—H22F109.5C80—C82—H82A109.5
H22E—C22'—H22F109.5C80—C82—H82B109.5
C32—C31—Zn30118 (2)H82A—C82—H82B109.5
C32—C31—H31A107.9C80—C82—H82C109.5
Zn30—C31—H31A107.9H82A—C82—H82C109.5
C32—C31—H31B107.9H82B—C82—H82C109.5
Zn30—C31—H31B107.9C80—C83—H83A109.5
H31A—C31—H31B107.2C80—C83—H83B109.5
C32'—C31'—Zn30119.8 (17)H83A—C83—H83B109.5
C32'—C31'—H31C107.4C80—C83—H83C109.5
Zn30—C31'—H31C107.4H83A—C83—H83C109.5
C32'—C31'—H31D107.4H83B—C83—H83C109.5
Zn30—C31'—H31D107.4
C11—Zn10—Zn20—C21'−9.9 (12)C31—Zn30—C31'—C32'−28 (2)
O70—Zn10—Zn20—C21'92.8 (11)O50—Zn30—C31'—C32'−70 (2)
O50—Zn10—Zn20—C21'−97.9 (11)O80—Zn30—C31'—C32'70 (2)
O60—Zn10—Zn20—C21'177.9 (11)O60—Zn30—C31'—C32'178.0 (16)
Zn40—Zn10—Zn20—C21'142.8 (11)Zn40—Zn30—C31'—C32'130.2 (17)
Zn30—Zn10—Zn20—C21'−147.0 (11)Zn20—Zn30—C31'—C32'4(3)
C11—Zn10—Zn20—C219.6 (14)Zn10—Zn30—C31'—C32'−135.0 (15)
O70—Zn10—Zn20—C21112.4 (13)C41'—Zn40—C41—C42−76 (4)
O50—Zn10—Zn20—C21−78.4 (13)O60—Zn40—C41—C42−94 (3)
O60—Zn10—Zn20—C21−162.6 (13)O80—Zn40—C41—C4240 (3)
Zn40—Zn10—Zn20—C21162.3 (13)O70—Zn40—C41—C42147 (3)
Zn30—Zn10—Zn20—C21−127.5 (13)Zn30—Zn40—C41—C42−19 (4)
C11—Zn10—Zn20—O5088.0 (6)Zn10—Zn40—C41—C42−164 (2)
O70—Zn10—Zn20—O50−169.3 (2)Zn20—Zn40—C41—C4297 (3)
O60—Zn10—Zn20—O50−84.2 (2)C41—Zn40—C41'—C42'113 (5)
Zn40—Zn10—Zn20—O50−119.31 (18)O60—Zn40—C41'—C42'−82 (2)
Zn30—Zn10—Zn20—O50−49.13 (18)O80—Zn40—C41'—C42'35 (2)
C11—Zn10—Zn20—O70−102.8 (5)O70—Zn40—C41'—C42'164.6 (16)
O50—Zn10—Zn20—O70169.3 (2)Zn30—Zn40—C41'—C42'−29 (2)
O60—Zn10—Zn20—O7085.1 (2)Zn10—Zn40—C41'—C42'−135.2 (17)
Zn40—Zn10—Zn20—O7049.95 (16)Zn20—Zn40—C41'—C42'102 (2)
Zn30—Zn10—Zn20—O70120.13 (16)C31—Zn30—O50—C50−4.7 (10)
C11—Zn10—Zn20—O80172.3 (5)C31'—Zn30—O50—C5013.2 (9)
O70—Zn10—Zn20—O80−84.97 (19)O80—Zn30—O50—C50−138.9 (5)
O50—Zn10—Zn20—O8084.3 (2)O60—Zn30—O50—C50136.7 (5)
O60—Zn10—Zn20—O800.09 (16)Zn40—Zn30—O50—C50178.8 (5)
Zn40—Zn10—Zn20—O80−35.02 (11)Zn20—Zn30—O50—C50−132.8 (6)
Zn30—Zn10—Zn20—O8035.16 (11)Zn10—Zn30—O50—C50130.6 (6)
C11—Zn10—Zn20—Zn30137.1 (5)C31—Zn30—O50—Zn20128.1 (8)
O70—Zn10—Zn20—Zn30−120.13 (16)C31'—Zn30—O50—Zn20145.9 (7)
O50—Zn10—Zn20—Zn3049.13 (18)O80—Zn30—O50—Zn20−6.16 (16)
O60—Zn10—Zn20—Zn30−35.07 (12)O60—Zn30—O50—Zn20−90.50 (17)
Zn40—Zn10—Zn20—Zn30−70.18 (3)Zn40—Zn30—O50—Zn20−48.41 (12)
C11—Zn10—Zn20—Zn40−152.7 (5)Zn10—Zn30—O50—Zn20−96.66 (18)
O70—Zn10—Zn20—Zn40−49.95 (16)C31—Zn30—O50—Zn10−135.2 (8)
O50—Zn10—Zn20—Zn40119.31 (18)C31'—Zn30—O50—Zn10−117.4 (7)
O60—Zn10—Zn20—Zn4035.11 (12)O80—Zn30—O50—Zn1090.50 (17)
Zn30—Zn10—Zn20—Zn4070.18 (3)O60—Zn30—O50—Zn106.16 (16)
C21'—Zn20—Zn30—C3115.8 (15)Zn40—Zn30—O50—Zn1048.25 (12)
C21—Zn20—Zn30—C319.4 (15)Zn20—Zn30—O50—Zn1096.66 (18)
O50—Zn20—Zn30—C31−82.1 (10)C21'—Zn20—O50—C501.0 (10)
O70—Zn20—Zn30—C31−167.7 (10)C21—Zn20—O50—C508.6 (10)
O80—Zn20—Zn30—C31107.1 (10)O70—Zn20—O50—C50−138.5 (5)
Zn10—Zn20—Zn30—C31−132.3 (9)O80—Zn20—O50—C50137.4 (5)
Zn40—Zn20—Zn30—C31157.1 (9)Zn10—Zn20—O50—C50−131.3 (6)
C21'—Zn20—Zn30—C31'−2(2)Zn30—Zn20—O50—C50131.3 (6)
C21—Zn20—Zn30—C31'−8.4 (19)Zn40—Zn20—O50—C50179.4 (5)
O50—Zn20—Zn30—C31'−99.9 (16)C21'—Zn20—O50—Zn30−130.3 (9)
O70—Zn20—Zn30—C31'174.5 (16)C21—Zn20—O50—Zn30−122.7 (8)
O80—Zn20—Zn30—C31'89.3 (16)O70—Zn20—O50—Zn3090.27 (17)
Zn10—Zn20—Zn30—C31'−150.1 (16)O80—Zn20—O50—Zn306.15 (16)
Zn40—Zn20—Zn30—C31'139.3 (16)Zn10—Zn20—O50—Zn3097.4 (2)
C21'—Zn20—Zn30—O5097.9 (12)Zn40—Zn20—O50—Zn3048.15 (12)
C21—Zn20—Zn30—O5091.5 (12)C21'—Zn20—O50—Zn10132.2 (8)
O70—Zn20—Zn30—O50−85.6 (2)C21—Zn20—O50—Zn10139.9 (8)
O80—Zn20—Zn30—O50−170.8 (2)O70—Zn20—O50—Zn10−7.18 (16)
Zn10—Zn20—Zn30—O50−50.22 (17)O80—Zn20—O50—Zn10−91.30 (17)
Zn40—Zn20—Zn30—O50−120.80 (17)Zn30—Zn20—O50—Zn10−97.4 (2)
C21'—Zn20—Zn30—O80−91.3 (12)Zn40—Zn20—O50—Zn10−49.29 (13)
C21—Zn20—Zn30—O80−97.7 (12)C11—Zn10—O50—C50−5.1 (7)
O50—Zn20—Zn30—O80170.8 (2)O70—Zn10—O50—C50139.6 (5)
O70—Zn20—Zn30—O8085.2 (2)O60—Zn10—O50—C50−136.3 (5)
Zn10—Zn20—Zn30—O80120.60 (17)Zn20—Zn10—O50—C50132.4 (6)
Zn40—Zn20—Zn30—O8050.03 (17)Zn40—Zn10—O50—C50−178.2 (5)
C21'—Zn20—Zn30—O60−176.6 (12)Zn30—Zn10—O50—C50−130.1 (6)
C21—Zn20—Zn30—O60177.0 (11)C11—Zn10—O50—Zn30125.0 (4)
O50—Zn20—Zn30—O6085.5 (2)O70—Zn10—O50—Zn30−90.31 (17)
O70—Zn20—Zn30—O60−0.13 (16)O60—Zn10—O50—Zn30−6.14 (16)
O80—Zn20—Zn30—O60−85.4 (2)Zn20—Zn10—O50—Zn30−97.5 (2)
Zn10—Zn20—Zn30—O6035.24 (12)Zn40—Zn10—O50—Zn30−48.10 (12)
Zn40—Zn20—Zn30—O60−35.33 (12)C11—Zn10—O50—Zn20−137.5 (4)
C21'—Zn20—Zn30—Zn40−141.3 (12)O70—Zn10—O50—Zn207.20 (17)
C21—Zn20—Zn30—Zn40−147.7 (11)O60—Zn10—O50—Zn2091.36 (17)
O50—Zn20—Zn30—Zn40120.80 (17)Zn40—Zn10—O50—Zn2049.40 (13)
O70—Zn20—Zn30—Zn4035.20 (11)Zn30—Zn10—O50—Zn2097.5 (2)
O80—Zn20—Zn30—Zn40−50.03 (16)Zn30—O50—C50—C53−178.2 (6)
Zn10—Zn20—Zn30—Zn4070.58 (3)Zn20—O50—C50—C5360.9 (8)
C21'—Zn20—Zn30—Zn10148.1 (12)Zn10—O50—C50—C53−59.1 (9)
C21—Zn20—Zn30—Zn10141.7 (11)Zn30—O50—C50—C5163.7 (9)
O50—Zn20—Zn30—Zn1050.22 (17)Zn20—O50—C50—C51−57.1 (9)
O70—Zn20—Zn30—Zn10−35.37 (11)Zn10—O50—C50—C51−177.2 (6)
O80—Zn20—Zn30—Zn10−120.60 (17)Zn30—O50—C50—C52−58.3 (8)
Zn40—Zn20—Zn30—Zn10−70.58 (3)Zn20—O50—C50—C52−179.1 (6)
C11—Zn10—Zn30—C31−20.0 (13)Zn10—O50—C50—C5260.9 (8)
O70—Zn10—Zn30—C31161.4 (11)C41'—Zn40—O60—C600.4 (9)
O50—Zn10—Zn30—C3176.0 (11)C41—Zn40—O60—C606.3 (12)
O60—Zn10—Zn30—C31−113.1 (11)O80—Zn40—O60—C60−139.7 (5)
Zn20—Zn10—Zn30—C31126.0 (11)O70—Zn40—O60—C60136.5 (5)
Zn40—Zn10—Zn30—C31−163.1 (11)Zn30—Zn40—O60—C60−133.1 (5)
C11—Zn10—Zn30—C31'16.9 (11)Zn10—Zn40—O60—C60130.2 (5)
O70—Zn10—Zn30—C31'−161.7 (9)Zn20—Zn40—O60—C60178.4 (5)
O50—Zn10—Zn30—C31'112.9 (9)C41'—Zn40—O60—Zn30133.5 (7)
O60—Zn10—Zn30—C31'−76.2 (9)C41—Zn40—O60—Zn30139.4 (10)
Zn20—Zn10—Zn30—C31'162.9 (9)O80—Zn40—O60—Zn30−6.58 (16)
Zn40—Zn10—Zn30—C31'−126.2 (9)O70—Zn40—O60—Zn30−90.37 (17)
C11—Zn10—Zn30—O50−96.0 (6)Zn10—Zn40—O60—Zn30−96.77 (19)
O70—Zn10—Zn30—O5085.4 (2)Zn20—Zn40—O60—Zn30−48.50 (12)
O60—Zn10—Zn30—O50170.8 (2)C41'—Zn40—O60—Zn10−129.8 (7)
Zn20—Zn10—Zn30—O5049.99 (17)C41—Zn40—O60—Zn10−123.9 (10)
Zn40—Zn10—Zn30—O50120.86 (17)O80—Zn40—O60—Zn1090.19 (17)
C11—Zn10—Zn30—O80178.7 (6)O70—Zn40—O60—Zn106.39 (16)
O70—Zn10—Zn30—O800.19 (17)Zn30—Zn40—O60—Zn1096.77 (19)
O50—Zn10—Zn30—O80−85.2 (2)Zn20—Zn40—O60—Zn1048.27 (12)
O60—Zn10—Zn30—O8085.6 (2)C31—Zn30—O60—C60−11.2 (11)
Zn20—Zn10—Zn30—O80−35.25 (12)C31'—Zn30—O60—C604.0 (8)
Zn40—Zn10—Zn30—O8035.62 (12)O50—Zn30—O60—C60−136.3 (5)
C11—Zn10—Zn30—O6093.1 (6)O80—Zn30—O60—C60139.6 (5)
O70—Zn10—Zn30—O60−85.4 (2)Zn40—Zn30—O60—C60133.0 (6)
O50—Zn10—Zn30—O60−170.8 (2)Zn20—Zn30—O60—C60−178.3 (5)
Zn20—Zn10—Zn30—O60−120.86 (17)Zn10—Zn30—O60—C60−130.2 (6)
Zn40—Zn10—Zn30—O60−49.99 (17)C31—Zn30—O60—Zn40−144.3 (10)
C11—Zn10—Zn30—Zn40143.1 (6)C31'—Zn30—O60—Zn40−129.0 (7)
O70—Zn10—Zn30—Zn40−35.42 (11)O50—Zn30—O60—Zn4090.66 (17)
O50—Zn10—Zn30—Zn40−120.86 (17)O80—Zn30—O60—Zn406.60 (16)
O60—Zn10—Zn30—Zn4049.99 (17)Zn20—Zn30—O60—Zn4048.69 (12)
Zn20—Zn10—Zn30—Zn40−70.87 (3)Zn10—Zn30—O60—Zn4096.81 (18)
C11—Zn10—Zn30—Zn20−146.0 (6)C31—Zn30—O60—Zn10118.9 (10)
O70—Zn10—Zn30—Zn2035.44 (11)C31'—Zn30—O60—Zn10134.2 (7)
O50—Zn10—Zn30—Zn20−49.99 (17)O50—Zn30—O60—Zn10−6.15 (16)
O60—Zn10—Zn30—Zn20120.86 (17)O80—Zn30—O60—Zn10−90.22 (17)
Zn40—Zn10—Zn30—Zn2070.87 (3)Zn40—Zn30—O60—Zn10−96.81 (18)
C31—Zn30—Zn40—C41'18 (2)Zn20—Zn30—O60—Zn10−48.13 (12)
C31'—Zn30—Zn40—C41'−3.7 (12)C11—Zn10—O60—C605.0 (7)
O50—Zn30—Zn40—C41'−169.7 (9)O70—Zn10—O60—C60−138.0 (5)
O80—Zn30—Zn40—C41'105.4 (9)O50—Zn10—O60—C60137.8 (5)
O60—Zn30—Zn40—C41'−84.4 (9)Zn20—Zn10—O60—C60179.9 (5)
Zn20—Zn30—Zn40—C41'155.2 (9)Zn40—Zn10—O60—C60−131.6 (6)
Zn10—Zn30—Zn40—C41'−134.6 (9)Zn30—Zn10—O60—C60131.7 (6)
C31—Zn30—Zn40—C41−4(2)C11—Zn10—O60—Zn40136.6 (4)
C31'—Zn30—Zn40—C41−25.8 (17)O70—Zn10—O60—Zn40−6.43 (16)
O50—Zn30—Zn40—C41168.1 (16)O50—Zn10—O60—Zn40−90.61 (17)
O80—Zn30—Zn40—C4183.2 (16)Zn20—Zn10—O60—Zn40−48.51 (12)
O60—Zn30—Zn40—C41−106.6 (16)Zn30—Zn10—O60—Zn40−96.68 (18)
Zn20—Zn30—Zn40—C41133.0 (16)C11—Zn10—O60—Zn30−126.7 (4)
Zn10—Zn30—Zn40—C41−156.7 (16)O70—Zn10—O60—Zn3090.25 (17)
C31—Zn30—Zn40—O60102.3 (18)O50—Zn10—O60—Zn306.07 (16)
C31'—Zn30—Zn40—O6080.7 (7)Zn20—Zn10—O60—Zn3048.18 (12)
O50—Zn30—Zn40—O60−85.3 (2)Zn40—Zn10—O60—Zn3096.68 (18)
O80—Zn30—Zn40—O60−170.2 (2)Zn40—O60—C60—C62−58.9 (8)
Zn20—Zn30—Zn40—O60−120.40 (17)Zn30—O60—C60—C62179.7 (6)
Zn10—Zn30—Zn40—O60−50.16 (17)Zn10—O60—C60—C6260.4 (8)
C31—Zn30—Zn40—O80−87.5 (18)Zn40—O60—C60—C63179.0 (5)
C31'—Zn30—Zn40—O80−109.1 (7)Zn30—O60—C60—C6357.6 (7)
O50—Zn30—Zn40—O8084.9 (2)Zn10—O60—C60—C63−61.7 (7)
O60—Zn30—Zn40—O80170.2 (2)Zn40—O60—C60—C6159.8 (9)
Zn20—Zn30—Zn40—O8049.80 (16)Zn30—O60—C60—C61−61.7 (9)
Zn10—Zn30—Zn40—O80120.04 (17)Zn10—O60—C60—C61179.0 (6)
C31—Zn30—Zn40—O70−172.3 (18)C11—Zn10—O70—C701.3 (7)
C31'—Zn30—Zn40—O70166.1 (7)O50—Zn10—O70—C70−138.5 (5)
O50—Zn30—Zn40—O700.02 (16)O60—Zn10—O70—C70138.0 (5)
O80—Zn30—Zn40—O70−84.8 (2)Zn20—Zn10—O70—C70−131.3 (5)
O60—Zn30—Zn40—O7085.4 (2)Zn40—Zn10—O70—C70131.6 (5)
Zn20—Zn30—Zn40—O70−35.04 (11)Zn30—Zn10—O70—C70−180.0 (4)
Zn10—Zn30—Zn40—O7035.19 (11)C11—Zn10—O70—Zn20132.6 (5)
C31—Zn30—Zn40—Zn10152.5 (18)O50—Zn10—O70—Zn20−7.20 (16)
C31'—Zn30—Zn40—Zn10130.9 (7)O60—Zn10—O70—Zn20−90.72 (17)
O50—Zn30—Zn40—Zn10−35.17 (12)Zn40—Zn10—O70—Zn20−97.12 (17)
O80—Zn30—Zn40—Zn10−120.04 (17)Zn30—Zn10—O70—Zn20−48.69 (11)
O60—Zn30—Zn40—Zn1050.16 (17)C11—Zn10—O70—Zn40−130.2 (5)
Zn20—Zn30—Zn40—Zn10−70.24 (3)O50—Zn10—O70—Zn4089.92 (17)
C31—Zn30—Zn40—Zn20−137.3 (18)O60—Zn10—O70—Zn406.40 (16)
C31'—Zn30—Zn40—Zn20−158.9 (7)Zn20—Zn10—O70—Zn4097.12 (17)
O50—Zn30—Zn40—Zn2035.06 (12)Zn30—Zn10—O70—Zn4048.43 (11)
O80—Zn30—Zn40—Zn20−49.80 (16)C21'—Zn20—O70—C70−3.1 (10)
O60—Zn30—Zn40—Zn20120.40 (17)C21—Zn20—O70—C702.7 (14)
Zn10—Zn30—Zn40—Zn2070.24 (3)O50—Zn20—O70—C70137.9 (4)
C11—Zn10—Zn40—C41'2.0 (10)O80—Zn20—O70—C70−138.5 (4)
O70—Zn10—Zn40—C41'−102.1 (9)Zn10—Zn20—O70—C70130.7 (5)
O50—Zn10—Zn40—C41'172.2 (9)Zn30—Zn20—O70—C70179.5 (4)
O60—Zn10—Zn40—C41'87.5 (9)Zn40—Zn20—O70—C70−132.3 (5)
Zn20—Zn10—Zn40—C41'−152.0 (8)C21'—Zn20—O70—Zn10−133.8 (9)
Zn30—Zn10—Zn40—C41'137.6 (8)C21—Zn20—O70—Zn10−128.0 (13)
C11—Zn10—Zn40—C4127.1 (12)O50—Zn20—O70—Zn107.24 (17)
O70—Zn10—Zn40—C41−77.0 (11)O80—Zn20—O70—Zn1090.84 (16)
O50—Zn10—Zn40—C41−162.7 (11)Zn30—Zn20—O70—Zn1048.83 (11)
O60—Zn10—Zn40—C41112.5 (11)Zn40—Zn20—O70—Zn1097.04 (17)
Zn20—Zn10—Zn40—C41−126.9 (11)C21'—Zn20—O70—Zn40129.2 (9)
Zn30—Zn10—Zn40—C41162.6 (11)C21—Zn20—O70—Zn40135.0 (13)
C11—Zn10—Zn40—O60−85.5 (5)O50—Zn20—O70—Zn40−89.79 (17)
O70—Zn10—Zn40—O60170.4 (2)O80—Zn20—O70—Zn40−6.20 (15)
O50—Zn10—Zn40—O6084.8 (2)Zn10—Zn20—O70—Zn40−97.04 (17)
Zn20—Zn10—Zn40—O60120.59 (17)Zn30—Zn20—O70—Zn40−48.21 (11)
Zn30—Zn10—Zn40—O6050.10 (17)C41'—Zn40—O70—C70−7.8 (9)
C11—Zn10—Zn40—O80−171.1 (5)C41—Zn40—O70—C706.7 (9)
O70—Zn10—Zn40—O8084.83 (19)O60—Zn40—O70—C70−137.3 (4)
O50—Zn10—Zn40—O80−0.83 (16)O80—Zn40—O70—C70138.4 (4)
O60—Zn10—Zn40—O80−85.6 (2)Zn30—Zn40—O70—C70−179.5 (4)
Zn20—Zn10—Zn40—O8034.99 (11)Zn10—Zn40—O70—C70−130.8 (5)
Zn30—Zn10—Zn40—O80−35.50 (11)Zn20—Zn40—O70—C70132.2 (5)
C11—Zn10—Zn40—O70104.1 (5)C41'—Zn40—O70—Zn10123.0 (7)
O50—Zn10—Zn40—O70−85.7 (2)C41—Zn40—O70—Zn10137.5 (8)
O60—Zn10—Zn40—O70−170.4 (2)O60—Zn40—O70—Zn10−6.44 (16)
Zn20—Zn10—Zn40—O70−49.84 (16)O80—Zn40—O70—Zn10−90.80 (16)
Zn30—Zn10—Zn40—O70−120.33 (16)Zn30—Zn40—O70—Zn10−48.68 (12)
C11—Zn10—Zn40—Zn30−135.6 (5)Zn20—Zn40—O70—Zn10−97.00 (17)
O70—Zn10—Zn40—Zn30120.33 (16)C41'—Zn40—O70—Zn20−140.0 (7)
O50—Zn10—Zn40—Zn3034.67 (12)C41—Zn40—O70—Zn20−125.5 (8)
O60—Zn10—Zn40—Zn30−50.10 (17)O60—Zn40—O70—Zn2090.56 (16)
Zn20—Zn10—Zn40—Zn3070.49 (3)O80—Zn40—O70—Zn206.20 (15)
C11—Zn10—Zn40—Zn20153.9 (5)Zn30—Zn40—O70—Zn2048.32 (11)
O70—Zn10—Zn40—Zn2049.84 (16)Zn10—Zn40—O70—Zn2097.00 (17)
O50—Zn10—Zn40—Zn20−35.82 (12)Zn10—O70—C70—C72−59.0 (7)
O60—Zn10—Zn40—Zn20−120.59 (17)Zn20—O70—C70—C72−178.5 (5)
Zn30—Zn10—Zn40—Zn20−70.49 (3)Zn40—O70—C70—C7260.7 (7)
C21'—Zn20—Zn40—C41'−4.7 (16)Zn10—O70—C70—C71−179.8 (5)
C21—Zn20—Zn40—C41'−18.7 (18)Zn20—O70—C70—C7160.8 (7)
O50—Zn20—Zn40—C41'177.2 (12)Zn40—O70—C70—C71−60.0 (7)
O70—Zn20—Zn40—C41'91.3 (12)Zn10—O70—C70—C7360.5 (7)
O80—Zn20—Zn40—C41'−97.9 (12)Zn20—O70—C70—C73−59.0 (6)
Zn10—Zn20—Zn40—C41'141.2 (12)Zn40—O70—C70—C73−179.8 (4)
Zn30—Zn20—Zn40—C41'−148.0 (12)C31—Zn30—O80—C8016.6 (10)
C21'—Zn20—Zn40—C41−8.7 (14)C31'—Zn30—O80—C80−15.7 (9)
C21—Zn20—Zn40—C41−22.7 (17)O50—Zn30—O80—C80138.4 (5)
O50—Zn20—Zn40—C41173.2 (10)O60—Zn30—O80—C80−137.2 (5)
O70—Zn20—Zn40—C4187.3 (10)Zn40—Zn30—O80—C80−130.6 (5)
O80—Zn20—Zn40—C41−101.9 (10)Zn20—Zn30—O80—C80132.2 (5)
Zn10—Zn20—Zn40—C41137.2 (10)Zn10—Zn30—O80—C80−179.5 (5)
Zn30—Zn20—Zn40—C41−152.0 (10)C31—Zn30—O80—Zn20−115.6 (9)
C21'—Zn20—Zn40—O60178.7 (10)C31'—Zn30—O80—Zn20−148.0 (8)
C21—Zn20—Zn40—O60164.7 (14)O50—Zn30—O80—Zn206.15 (16)
O50—Zn20—Zn40—O600.66 (16)O60—Zn30—O80—Zn2090.56 (17)
O70—Zn20—Zn40—O60−85.24 (19)Zn40—Zn30—O80—Zn2097.14 (17)
O80—Zn20—Zn40—O6085.5 (2)Zn10—Zn30—O80—Zn2048.32 (12)
Zn10—Zn20—Zn40—O60−35.39 (11)C31—Zn30—O80—Zn40147.3 (9)
Zn30—Zn20—Zn40—O6035.44 (11)C31'—Zn30—O80—Zn40114.9 (8)
C21'—Zn20—Zn40—O8093.3 (11)O50—Zn30—O80—Zn40−90.99 (17)
C21—Zn20—Zn40—O8079.2 (14)O60—Zn30—O80—Zn40−6.58 (16)
O50—Zn20—Zn40—O80−84.8 (2)Zn20—Zn30—O80—Zn40−97.14 (17)
O70—Zn20—Zn40—O80−170.7 (2)Zn10—Zn30—O80—Zn40−48.82 (12)
Zn10—Zn20—Zn40—O80−120.89 (17)C21'—Zn20—O80—C802.0 (9)
Zn30—Zn20—Zn40—O80−50.06 (17)C21—Zn20—O80—C80−11.3 (11)
C21'—Zn20—Zn40—O70−96.0 (11)O50—Zn20—O80—C80−137.1 (5)
C21—Zn20—Zn40—O70−110.1 (14)O70—Zn20—O80—C80138.5 (5)
O50—Zn20—Zn40—O7085.90 (19)Zn10—Zn20—O80—C80−179.5 (4)
O80—Zn20—Zn40—O70170.7 (2)Zn30—Zn20—O80—C80−131.0 (5)
Zn10—Zn20—Zn40—O7049.86 (15)Zn40—Zn20—O80—C80132.3 (5)
Zn30—Zn20—Zn40—O70120.68 (15)C21'—Zn20—O80—Zn30133.1 (8)
C21'—Zn20—Zn40—Zn30143.3 (10)C21—Zn20—O80—Zn30119.7 (10)
C21—Zn20—Zn40—Zn30129.3 (13)O50—Zn20—O80—Zn30−6.10 (16)
O50—Zn20—Zn40—Zn30−34.78 (12)O70—Zn20—O80—Zn30−90.49 (16)
O70—Zn20—Zn40—Zn30−120.68 (15)Zn10—Zn20—O80—Zn30−48.50 (12)
O80—Zn20—Zn40—Zn3050.06 (17)Zn40—Zn20—O80—Zn30−96.70 (18)
Zn10—Zn20—Zn40—Zn30−70.82 (3)C21'—Zn20—O80—Zn40−130.2 (8)
C21'—Zn20—Zn40—Zn10−145.9 (10)C21—Zn20—O80—Zn40−143.6 (9)
C21—Zn20—Zn40—Zn10−159.9 (13)O50—Zn20—O80—Zn4090.60 (17)
O50—Zn20—Zn40—Zn1036.05 (12)O70—Zn20—O80—Zn406.21 (15)
O70—Zn20—Zn40—Zn10−49.86 (15)Zn10—Zn20—O80—Zn4048.21 (12)
O80—Zn20—Zn40—Zn10120.89 (17)Zn30—Zn20—O80—Zn4096.70 (18)
Zn30—Zn20—Zn40—Zn1070.82 (3)C41'—Zn40—O80—C805.2 (9)
O70—Zn10—C11—C12−9.6 (16)C41—Zn40—O80—C80−14.8 (10)
O50—Zn10—C11—C12116.0 (12)O60—Zn40—O80—C80136.7 (4)
O60—Zn10—C11—C12−131.8 (12)O70—Zn40—O80—C80−139.1 (4)
Zn20—Zn10—C11—C1257.9 (16)Zn30—Zn40—O80—C80130.1 (5)
Zn40—Zn10—C11—C12−76.4 (15)Zn10—Zn40—O80—C80179.0 (4)
Zn30—Zn10—C11—C12172.5 (10)Zn20—Zn40—O80—C80−132.9 (5)
C21'—Zn20—C21—C2255 (6)C41'—Zn40—O80—Zn30−124.9 (8)
O50—Zn20—C21—C22−93 (2)C41—Zn40—O80—Zn30−144.9 (9)
O70—Zn20—C21—C2230 (3)O60—Zn40—O80—Zn306.59 (16)
O80—Zn20—C21—C22160 (2)O70—Zn40—O80—Zn3090.76 (16)
Zn10—Zn20—C21—C22−42 (3)Zn10—Zn40—O80—Zn3048.88 (12)
Zn30—Zn20—C21—C22−145 (2)Zn20—Zn40—O80—Zn3096.95 (19)
Zn40—Zn20—C21—C22106 (3)C41'—Zn40—O80—Zn20138.2 (8)
C21—Zn20—C21'—C22'179 (9)C41—Zn40—O80—Zn20118.1 (9)
O50—Zn20—C21'—C22'−144 (2)O60—Zn40—O80—Zn20−90.36 (17)
O70—Zn20—C21'—C22'−21 (3)O70—Zn40—O80—Zn20−6.19 (15)
O80—Zn20—C21'—C22'96 (3)Zn30—Zn40—O80—Zn20−96.95 (19)
Zn10—Zn20—C21'—C22'−81 (3)Zn10—Zn40—O80—Zn20−48.08 (12)
Zn30—Zn20—C21'—C22'154 (2)Zn30—O80—C80—C8159.5 (7)
Zn40—Zn20—C21'—C22'38 (3)Zn20—O80—C80—C81179.6 (5)
C31'—Zn30—C31—C3222 (2)Zn40—O80—C80—C81−59.1 (7)
O50—Zn30—C31—C32170.8 (19)Zn30—O80—C80—C82180.0 (5)
O80—Zn30—C31—C32−82 (2)Zn20—O80—C80—C82−59.9 (7)
O60—Zn30—C31—C3258 (3)Zn40—O80—C80—C8261.3 (7)
Zn40—Zn30—C31—C32−18 (4)Zn30—O80—C80—C83−61.8 (7)
Zn20—Zn30—C31—C32−140.9 (19)Zn20—O80—C80—C8358.3 (7)
Zn10—Zn30—C31—C32123.6 (19)Zn40—O80—C80—C83179.5 (5)
Acknowledgements top

We thank Dr John Davies, University of Cambridge, for the X-ray data collection.

references
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