supplementary materials


ng5341 scheme

Acta Cryst. (2013). E69, m534-m535    [ doi:10.1107/S1600536813023933 ]

[[mu]-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)

A. Reichert, H.-W. Lerner, M. Wagner and M. Bolte

Abstract top

The title compound, [FeZr2(C5H5)4Cl2(C13H18B2)], is a heteronuclear complex that consists of a [3]ferrocenophane moiety substituted at each cyclopentadienyl (Cp) ring by a BH3 group; the BH3 group is bonded via two H atoms to the Zr atom of the zirconocene chloride moiety in a bidentate fashion. The two Cp rings of the [3]ferrocenophane moiety are aligned at a dihedral angle of 8.9 (4)° arising from the strain of the propane-1,3-diyl bridge linking the two Cp rings. [One methylene group is disordered over two positions with a site-occupation factor of 0.552 (18) for the major occupied site.] The dihedral angles between the Cp rings at the two Zr atoms are 50.0 (3) and 51.7 (3)°. The bonding Zr...H distances are in the range 1.89 (7)-2.14 (7) Å. As the two Cp rings of the ferrocene unit are connected by an ansa bridge, the two Zr atoms approach each other at 6.485 (1) Å. The crystal packing features C-H...Cl interactions.

Comment top

Recently we have reported on coordination behaviour of mono- and ditopic ferrocenylhydroborates Li[FcBH3] and Li2[fc(BH3)2] toward the [Cp2ZrCl]- moiety (Fc = ferrocenyl, fc = 1,1'-ferrocenylene, Cp = cyclopentadienyl) (Reichert et al., 2013a). Herein we describe the coordination behaviour of ditopic ferrocenylhydroborate derivative 2 that features an ansa bridge in its ferrocene backbone. The title compound 3 was prepared in a two-step one-pot procedure as shown in Fig. 1. The starting material 1 was synthesized according to a previously reported procedure (Reichert et al., 2013b).

The title compound 3 (Fig. 2) features a heterotrinuclear complex. It contains a [3]ferrocenophane moiety substituted at the cyclopentadienyl rings with two BH3 groups, which are each bonded via two H atoms to the Zr centres of the zirconocene chloride moieties. The Zr···B distances show that the two BH3 residues coordinate in a bidentate fashion to the Zr centres (Edelstein, 1981).

The two cyclopentadienyl rings of the [3]ferrocenophane moiety are not exactly planar but enclose a dihedral angle of 8.9 (4)° due to the strain of the 1,3-propanediyl bridge linking the two cyclopentadienyl rings. The dihedral angles between the cyclopentadienyl rings at the two Zr centres show almost the same values: 50.0 (3)° and 51.7 (3)°. The bonding Zr···H distances are in the range from 1.89 (7) Å to 2.14 (7) Å and the H atoms of the BH3 groups not bonded to Zr show a H···Zr distance of 3.14 (7) Å and 3.13 (8) Å. Since the two cyclopentadienyl rings of the ferrocene unit are connected by an ansa bridge, the two Zr centres approach each other to a distance of 6.485 (1) Å compared to 7.128 (1) Å in the compound without an ansa bridge (Reichert et al., 2013a). The crystal packing is stabilized by C—H···Cl interactions.

Related literature top

For Zr···B distances, see: Edelstein (1981). For information about the coordination behaviour of mono- and ditopic ferrocenylhydroborates toward [Cp2ZrCl]-, see: Reichert et al. (2013a). For synthetic details, see: Reichert (2013); Reichert et al. (2013b).

Experimental top

All reactions and manipulations were carried out under dry nitrogen or argon with carefully dried and degassed solvents, flame-dried glassware and Schlenk or glove-box techniques. Benzene and Et2O were dried over Na/benzophenone and distilled prior to use.

A solution of Li[AlH4] in Et2O (1 M, 0.86 ml, 0.86 mmol) was diluted with Et2O (5 ml) and added dropwise with stirring at -78°C to a solution of 1 (0.242 g, 0.449 mmol) in Et2O (15 ml). After 30 min, the mixture was allowed to warm to room temperature and stirred for another 1 h. The insolubles were removed by filtration (G4 frit) and washed with Et2O (2 × 5 ml). The solvent was removed from the filtrate under reduced pressure and the solid residue was further dried under dynamic vacuum overnight to obtain 2.(Et2O) as a yellow compound; the amount of Et2O present in the sample after drying was determined by 1H NMR spectroscopy. Afterwards, in a glove box, neat solid 2.(Et2O) (0.113 g, 0.333 mmol) and [Cp2ZrCl2] (0.292 g, 0.999 mmol) were charged to a flask and suspended in Et2O (30 ml). The suspension was stirred at room temperature overnight, the red insoluble material was isolated by filtration, washed with Et2O (3 × 10 ml) and treated with benzene. LiCl was removed by filtration and the filtrate was slowly evaporated to grow single crystals suitable for X-ray diffraction.

Refinement top

One methylene group is disordered over two positions with a site occupation factor of 0.552 (18) for the major occupied site. The disordered atoms were isotropically refined. H atoms were located in a difference map, but those bonded to C were geometrically positioned and refined using a riding model with fixed individual displacement parameters [U(H) = 1.2 Ueq(C)] and with Caromatic—H = 0.95 Å and Cmethylene—H = 0.99 Å. The H atoms bonded to B were freely refined.

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA (Stoe & Cie, 2001); data reduction: X-AREA (Stoe & Cie, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. Synthesis of the title compound 3. Reagents and conditions: (i) 2 eq Li[AlH4], Et2O, -78°C to room temperature, 1.5 h; (ii) 3 eq [Cp2ZrCl2], Et2O, room temperature, 12 h.
[Figure 2] Fig. 2. Perspective view of the title compound 3. Displacement ellipsoids are drawn at the 50% probability level. H atoms bonded to C and the minor occupied site of the disordered methylene group omitted for clarity.
[µ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene) top
Crystal data top
[FeZr2(C5H5)4Cl2(C33H38B2)]F(000) = 1544
Mr = 765.44Dx = 1.617 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 14288 reflections
a = 18.2954 (9) Åθ = 3.3–25.9°
b = 11.6004 (6) ŵ = 1.30 mm1
c = 15.3351 (6) ÅT = 173 K
β = 104.963 (3)°Block, red
V = 3144.3 (3) Å30.19 × 0.14 × 0.13 mm
Z = 4
Data collection top
Stoe IPDS II two-circle
diffractometer
5885 independent reflections
Radiation source: fine-focus sealed tube3926 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.102
ω scansθmax = 25.6°, θmin = 3.2°
Absorption correction: multi-scan
(MULABS; Spek, 2009; Blessing, 1995)
h = 2221
Tmin = 0.791, Tmax = 0.849k = 1314
29348 measured reflectionsl = 1818
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112H atoms treated by a mixture of independent and constrained refinement
S = 0.94 w = 1/[σ2(Fo2) + (0.0552P)2]
where P = (Fo2 + 2Fc2)/3
5885 reflections(Δ/σ)max = 0.001
379 parametersΔρmax = 0.60 e Å3
0 restraintsΔρmin = 1.22 e Å3
Crystal data top
[FeZr2(C5H5)4Cl2(C33H38B2)]V = 3144.3 (3) Å3
Mr = 765.44Z = 4
Monoclinic, P21/cMo Kα radiation
a = 18.2954 (9) ŵ = 1.30 mm1
b = 11.6004 (6) ÅT = 173 K
c = 15.3351 (6) Å0.19 × 0.14 × 0.13 mm
β = 104.963 (3)°
Data collection top
Stoe IPDS II two-circle
diffractometer
5885 independent reflections
Absorption correction: multi-scan
(MULABS; Spek, 2009; Blessing, 1995)
3926 reflections with I > 2σ(I)
Tmin = 0.791, Tmax = 0.849Rint = 0.102
29348 measured reflectionsθmax = 25.6°
Refinement top
R[F2 > 2σ(F2)] = 0.048H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.112Δρmax = 0.60 e Å3
S = 0.94Δρmin = 1.22 e Å3
5885 reflectionsAbsolute structure: ?
379 parametersAbsolute structure parameter: ?
0 restraintsRogers parameter: ?
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)
Fe10.62987 (4)0.20526 (7)0.41160 (5)0.0350 (2)
Zr10.90928 (3)0.13840 (5)0.64114 (3)0.02916 (14)
Zr20.74182 (3)0.63285 (5)0.54861 (3)0.03069 (14)
Cl10.94734 (12)0.06969 (18)0.65470 (13)0.0694 (5)
Cl20.85626 (11)0.53838 (18)0.64097 (14)0.0748 (6)
B10.7968 (4)0.1121 (6)0.5043 (5)0.0472 (18)
H1A0.815 (4)0.199 (7)0.538 (5)0.071*
H1B0.838 (4)0.027 (6)0.560 (5)0.071*
H1C0.818 (4)0.101 (7)0.440 (5)0.071*
B20.6491 (4)0.4611 (7)0.5031 (6)0.0507 (18)
H2A0.719 (4)0.455 (7)0.546 (5)0.076*
H2B0.644 (4)0.577 (7)0.491 (5)0.076*
H2C0.619 (4)0.442 (7)0.541 (5)0.076*
C10.7094 (3)0.0939 (5)0.4866 (4)0.0404 (13)
C20.6616 (4)0.0409 (5)0.4059 (4)0.0463 (15)
H20.67990.00730.35910.056*
C30.5857 (4)0.0458 (5)0.4059 (4)0.0510 (17)
C40.5817 (4)0.1002 (5)0.4880 (4)0.0497 (16)
H40.53710.11420.50710.060*
C50.6573 (4)0.1299 (6)0.5364 (4)0.0478 (15)
H50.67080.16790.59320.057*
C110.6313 (3)0.3837 (5)0.4171 (4)0.0414 (13)
C120.5578 (3)0.3396 (5)0.3733 (5)0.0493 (16)
H120.51310.35440.39200.059*
C130.5614 (4)0.2710 (6)0.2983 (4)0.0510 (17)
C140.6383 (4)0.2727 (6)0.2925 (4)0.0509 (16)
H140.65770.23570.24800.061*
C150.6803 (3)0.3407 (5)0.3666 (4)0.0454 (15)
H150.73320.35490.37990.054*
C60.5191 (5)0.0112 (7)0.3296 (5)0.076 (3)
H6A0.47230.01880.35030.091*0.552 (18)
H6B0.52450.07100.31520.091*0.552 (18)
H6C0.53930.02730.28320.091*0.448 (18)
H6D0.49000.04750.35350.091*0.448 (18)
C70.5098 (7)0.0846 (10)0.2403 (7)0.044 (3)*0.552 (18)
H7A0.55530.07010.21850.052*0.552 (18)
H7B0.46640.05140.19470.052*0.552 (18)
C7'0.4720 (9)0.0881 (14)0.2894 (11)0.053 (5)*0.448 (18)
H7C0.44700.11910.33440.064*0.448 (18)
H7D0.43240.04770.24320.064*0.448 (18)
C80.4994 (4)0.2003 (8)0.2388 (5)0.074 (2)
H8A0.45190.21640.25640.088*0.552 (18)
H8B0.49200.22720.17590.088*0.552 (18)
H8C0.51680.17230.18670.088*0.448 (18)
H8D0.45510.25080.21510.088*0.448 (18)
C210.9321 (4)0.1654 (8)0.8051 (4)0.062 (2)
H210.98340.16300.83920.074*
C220.8821 (4)0.0715 (7)0.7846 (4)0.0510 (16)
H220.89320.00560.80450.061*
C230.8130 (3)0.1109 (5)0.7298 (4)0.0429 (14)
H230.76970.06500.70490.051*
C240.8192 (4)0.2310 (6)0.7183 (4)0.0478 (15)
H240.78100.28050.68430.057*
C250.8920 (4)0.2636 (6)0.7660 (4)0.0544 (17)
H250.91120.34000.77110.065*
C261.0370 (3)0.2285 (6)0.6700 (4)0.0486 (16)
H261.06580.23430.73100.058*
C271.0387 (3)0.1379 (6)0.6119 (5)0.0507 (15)
H271.07000.07150.62600.061*
C280.9866 (4)0.1599 (6)0.5287 (5)0.0543 (17)
H280.97520.11070.47750.065*
C290.9545 (4)0.2679 (6)0.5355 (4)0.0565 (18)
H290.91820.30650.48920.068*
C300.9861 (4)0.3089 (6)0.6236 (4)0.0506 (16)
H300.97430.38020.64710.061*
C310.6712 (5)0.6539 (6)0.6671 (5)0.0599 (19)
H310.64830.58690.68400.072*
C320.6367 (4)0.7307 (7)0.5973 (6)0.065 (2)
H320.58690.72550.55890.078*
C330.6899 (5)0.8156 (6)0.5957 (6)0.065 (2)
H330.68220.88030.55630.078*
C340.7564 (5)0.7906 (6)0.6611 (5)0.0612 (19)
H340.80220.83310.67240.073*
C350.7435 (5)0.6919 (8)0.7068 (5)0.071 (2)
H350.77850.65690.75650.085*
C360.7990 (6)0.5965 (7)0.4204 (5)0.068 (2)
H360.82000.52260.41580.082*
C370.7257 (6)0.6309 (7)0.3819 (4)0.071 (2)
H370.68740.58420.34470.085*
C380.7165 (5)0.7453 (6)0.4061 (4)0.061 (2)
H380.67100.78880.38980.074*
C390.7860 (4)0.7838 (6)0.4584 (4)0.0523 (17)
H390.79670.85890.48300.063*
C400.8371 (5)0.6932 (8)0.4683 (6)0.070 (2)
H400.88870.69540.50140.084*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0310 (4)0.0333 (4)0.0356 (4)0.0095 (3)0.0009 (3)0.0049 (3)
Zr10.0326 (3)0.0317 (3)0.0230 (2)0.0021 (2)0.00692 (19)0.0034 (2)
Zr20.0335 (3)0.0302 (3)0.0306 (3)0.0038 (2)0.0124 (2)0.0005 (2)
Cl10.0720 (12)0.0670 (12)0.0716 (12)0.0177 (10)0.0230 (9)0.0177 (9)
Cl20.0657 (12)0.0649 (12)0.0770 (12)0.0187 (9)0.0121 (10)0.0046 (10)
B10.049 (4)0.049 (4)0.035 (3)0.005 (3)0.004 (3)0.003 (3)
B20.044 (4)0.046 (4)0.069 (5)0.015 (3)0.027 (4)0.003 (4)
C10.046 (3)0.034 (3)0.037 (3)0.000 (3)0.002 (3)0.007 (2)
C20.060 (4)0.033 (3)0.038 (3)0.004 (3)0.000 (3)0.002 (3)
C30.058 (4)0.038 (3)0.048 (4)0.025 (3)0.003 (3)0.007 (3)
C40.055 (4)0.046 (4)0.047 (4)0.020 (3)0.011 (3)0.007 (3)
C50.053 (3)0.047 (3)0.037 (3)0.008 (3)0.000 (3)0.008 (3)
C110.039 (3)0.031 (3)0.052 (3)0.007 (2)0.009 (3)0.006 (2)
C120.037 (3)0.049 (4)0.061 (4)0.003 (3)0.010 (3)0.006 (3)
C130.042 (3)0.049 (4)0.053 (4)0.001 (3)0.004 (3)0.015 (3)
C140.060 (4)0.044 (4)0.049 (4)0.000 (3)0.015 (3)0.017 (3)
C150.042 (3)0.036 (3)0.058 (4)0.007 (3)0.013 (3)0.008 (3)
C60.084 (5)0.072 (5)0.061 (4)0.057 (5)0.000 (4)0.002 (4)
C80.054 (4)0.090 (6)0.057 (4)0.003 (4)0.024 (4)0.012 (4)
C210.057 (4)0.109 (7)0.021 (3)0.006 (4)0.012 (3)0.013 (3)
C220.061 (4)0.069 (4)0.027 (3)0.010 (4)0.021 (3)0.017 (3)
C230.046 (3)0.050 (4)0.038 (3)0.005 (3)0.021 (3)0.005 (3)
C240.055 (4)0.047 (4)0.049 (4)0.004 (3)0.029 (3)0.003 (3)
C250.073 (5)0.051 (4)0.050 (4)0.012 (4)0.036 (3)0.018 (3)
C260.040 (3)0.064 (4)0.045 (3)0.015 (3)0.017 (3)0.001 (3)
C270.043 (3)0.049 (4)0.070 (4)0.003 (3)0.032 (3)0.003 (3)
C280.063 (4)0.059 (4)0.053 (4)0.020 (3)0.037 (3)0.013 (3)
C290.069 (4)0.059 (4)0.046 (4)0.005 (3)0.022 (3)0.024 (3)
C300.070 (4)0.036 (3)0.059 (4)0.015 (3)0.041 (3)0.006 (3)
C310.084 (5)0.048 (4)0.066 (4)0.004 (4)0.052 (4)0.005 (3)
C320.054 (4)0.069 (5)0.084 (5)0.009 (4)0.038 (4)0.012 (4)
C330.084 (5)0.042 (4)0.087 (5)0.012 (4)0.053 (5)0.001 (4)
C340.076 (5)0.051 (4)0.067 (5)0.009 (4)0.036 (4)0.027 (4)
C350.099 (6)0.083 (6)0.037 (4)0.007 (5)0.028 (4)0.013 (4)
C360.115 (7)0.049 (4)0.067 (5)0.014 (4)0.071 (5)0.013 (4)
C370.132 (8)0.054 (4)0.030 (3)0.033 (5)0.027 (4)0.002 (3)
C380.095 (6)0.046 (4)0.040 (4)0.010 (4)0.011 (4)0.012 (3)
C390.077 (5)0.034 (3)0.054 (4)0.020 (3)0.033 (3)0.002 (3)
C400.060 (4)0.081 (6)0.082 (5)0.021 (4)0.042 (4)0.009 (5)
Geometric parameters (Å, º) top
Fe1—C22.001 (6)C13—C81.503 (9)
Fe1—C132.011 (6)C14—C151.433 (9)
Fe1—C32.012 (6)C14—H140.9500
Fe1—C122.028 (6)C15—H150.9500
Fe1—C142.029 (6)C6—C7'1.282 (16)
Fe1—C152.031 (6)C6—C71.583 (13)
Fe1—C42.041 (6)C6—H6A0.9900
Fe1—C52.045 (6)C6—H6B0.9900
Fe1—C12.061 (5)C6—H6C0.9900
Fe1—C112.071 (6)C6—H6D0.9900
Zr1—C212.461 (6)C7—C81.356 (14)
Zr1—C302.481 (6)C7—H7A0.9900
Zr1—C252.488 (6)C7—H7B0.9900
Zr1—C262.493 (6)C7'—C81.658 (18)
Zr1—C222.501 (6)C7'—H7C0.9900
Zr1—C292.502 (6)C7'—H7D0.9900
Zr1—C242.505 (6)C8—H8A0.9900
Zr1—Cl12.506 (2)C8—H8B0.9900
Zr1—C232.508 (6)C8—H8C0.9900
Zr1—C282.509 (6)C8—H8D0.9901
Zr1—C272.521 (6)C21—C251.403 (10)
Zr1—B12.551 (6)C21—C221.405 (10)
Zr1—H1A2.14 (7)C21—H210.9500
Zr1—H1B2.02 (7)C22—C231.402 (9)
Zr2—Cl22.4616 (17)C22—H220.9500
Zr2—C402.480 (7)C23—C241.413 (9)
Zr2—C342.481 (6)C23—H230.9500
Zr2—C382.484 (6)C24—C251.395 (9)
Zr2—C362.490 (7)C24—H240.9500
Zr2—C392.492 (6)C25—H250.9500
Zr2—C372.497 (6)C26—C301.379 (9)
Zr2—C312.499 (7)C26—C271.383 (9)
Zr2—C332.504 (7)C26—H260.9500
Zr2—C322.507 (7)C27—C281.405 (10)
Zr2—C352.513 (7)C27—H270.9500
Zr2—B22.593 (7)C28—C291.398 (10)
Zr2—H2A2.11 (8)C28—H280.9500
Zr2—H2B1.89 (7)C29—C301.408 (10)
B1—C11.564 (10)C29—H290.9500
B1—H1A1.14 (8)C30—H300.9500
B1—H1B1.40 (7)C31—C351.379 (11)
B1—H1C1.16 (8)C31—C321.411 (11)
B2—C111.559 (11)C31—H310.9500
B2—H2A1.28 (7)C32—C331.389 (11)
B2—H2B1.35 (8)C32—H320.9500
B2—H2C0.92 (8)C33—C341.392 (11)
C1—C51.430 (9)C33—H330.9500
C1—C21.455 (8)C34—C351.394 (11)
C2—C31.389 (10)C34—H340.9500
C2—H20.9500C35—H350.9500
C3—C41.428 (10)C36—C371.377 (12)
C3—C61.510 (8)C36—C401.420 (11)
C4—C51.432 (8)C36—H360.9500
C4—H40.9500C37—C381.401 (11)
C5—H50.9500C37—H370.9500
C11—C151.417 (9)C38—C391.391 (10)
C11—C121.434 (8)C38—H380.9500
C12—C131.415 (10)C39—C401.389 (11)
C12—H120.9500C39—H390.9500
C13—C141.431 (10)C40—H400.9500
C2—Fe1—C13116.5 (3)Zr2—B2—H2A54 (4)
C2—Fe1—C340.5 (3)C11—B2—H2B118 (3)
C13—Fe1—C399.1 (3)Zr2—B2—H2B45 (3)
C2—Fe1—C12153.3 (2)H2A—B2—H2B99 (5)
C13—Fe1—C1241.0 (3)C11—B2—H2C112 (5)
C3—Fe1—C12118.1 (3)Zr2—B2—H2C118 (5)
C2—Fe1—C14103.7 (3)H2A—B2—H2C109 (6)
C13—Fe1—C1441.5 (3)H2B—B2—H2C107 (6)
C3—Fe1—C14116.0 (3)C5—C1—C2103.9 (5)
C12—Fe1—C1468.8 (3)C5—C1—B1131.4 (5)
C2—Fe1—C15124.0 (3)C2—C1—B1124.6 (6)
C13—Fe1—C1569.5 (3)C5—C1—Fe169.1 (3)
C3—Fe1—C15155.4 (3)C2—C1—Fe166.8 (3)
C12—Fe1—C1568.0 (3)B1—C1—Fe1123.7 (4)
C14—Fe1—C1541.3 (3)C3—C2—C1111.4 (6)
C2—Fe1—C468.3 (3)C3—C2—Fe170.2 (4)
C13—Fe1—C4117.3 (3)C1—C2—Fe171.2 (3)
C3—Fe1—C441.3 (3)C3—C2—H2124.3
C12—Fe1—C4106.3 (3)C1—C2—H2124.3
C14—Fe1—C4153.0 (3)Fe1—C2—H2125.9
C15—Fe1—C4163.3 (3)C2—C3—C4107.3 (5)
C2—Fe1—C568.3 (3)C2—C3—C6126.6 (7)
C13—Fe1—C5156.7 (3)C4—C3—C6125.9 (7)
C3—Fe1—C569.3 (2)C2—C3—Fe169.3 (3)
C12—Fe1—C5125.7 (3)C4—C3—Fe170.5 (3)
C14—Fe1—C5161.8 (3)C6—C3—Fe1120.8 (5)
C15—Fe1—C5128.7 (2)C3—C4—C5107.5 (6)
C4—Fe1—C541.0 (2)C3—C4—Fe168.3 (4)
C2—Fe1—C142.0 (2)C5—C4—Fe169.6 (3)
C13—Fe1—C1155.8 (3)C3—C4—H4126.2
C3—Fe1—C170.5 (2)C5—C4—H4126.2
C12—Fe1—C1163.0 (3)Fe1—C4—H4127.4
C14—Fe1—C1122.5 (3)C1—C5—C4110.0 (6)
C15—Fe1—C1110.9 (2)C1—C5—Fe170.2 (3)
C4—Fe1—C169.7 (3)C4—C5—Fe169.3 (3)
C5—Fe1—C140.7 (3)C1—C5—H5125.0
C2—Fe1—C11162.3 (3)C4—C5—H5125.0
C13—Fe1—C1169.8 (3)Fe1—C5—H5127.1
C3—Fe1—C11157.2 (3)C15—C11—C12105.5 (5)
C12—Fe1—C1140.9 (2)C15—C11—B2129.9 (5)
C14—Fe1—C1169.4 (3)C12—C11—B2124.5 (6)
C15—Fe1—C1140.4 (3)C15—C11—Fe168.3 (3)
C4—Fe1—C11125.2 (3)C12—C11—Fe167.9 (3)
C5—Fe1—C11113.0 (3)B2—C11—Fe1127.4 (4)
C1—Fe1—C11127.1 (2)C13—C12—C11110.2 (6)
C21—Zr1—C3093.3 (2)C13—C12—Fe168.9 (3)
C21—Zr1—C2532.9 (2)C11—C12—Fe171.2 (3)
C30—Zr1—C2578.9 (2)C13—C12—H12124.9
C21—Zr1—C2682.0 (2)C11—C12—H12124.9
C30—Zr1—C2632.2 (2)Fe1—C12—H12126.7
C25—Zr1—C2685.3 (2)C12—C13—C14107.2 (6)
C21—Zr1—C2232.9 (2)C12—C13—C8127.8 (7)
C30—Zr1—C22126.1 (2)C14—C13—C8124.8 (7)
C25—Zr1—C2253.9 (3)C12—C13—Fe170.1 (3)
C26—Zr1—C22111.4 (2)C14—C13—Fe169.9 (3)
C21—Zr1—C29126.0 (3)C8—C13—Fe1121.4 (5)
C30—Zr1—C2932.8 (2)C13—C14—C15107.0 (6)
C25—Zr1—C29106.1 (2)C13—C14—Fe168.6 (4)
C26—Zr1—C2953.9 (2)C15—C14—Fe169.4 (4)
C22—Zr1—C29158.5 (3)C13—C14—H14126.5
C21—Zr1—C2454.6 (2)C15—C14—H14126.5
C30—Zr1—C2499.8 (2)Fe1—C14—H14127.0
C25—Zr1—C2432.4 (2)C11—C15—C14110.0 (5)
C26—Zr1—C24115.9 (2)C11—C15—Fe171.3 (3)
C22—Zr1—C2454.1 (2)C14—C15—Fe169.2 (3)
C29—Zr1—C24114.6 (2)C11—C15—H15125.0
C21—Zr1—Cl193.9 (2)C14—C15—H15125.0
C30—Zr1—Cl1128.60 (17)Fe1—C15—H15126.0
C25—Zr1—Cl1125.90 (18)C7'—C6—C3119.8 (9)
C26—Zr1—Cl199.29 (17)C7'—C6—C745.7 (8)
C22—Zr1—Cl175.07 (18)C3—C6—C7114.3 (6)
C29—Zr1—Cl1120.05 (19)C7'—C6—H6A64.1
C24—Zr1—Cl1125.21 (16)C3—C6—H6A108.7
C21—Zr1—C2354.5 (2)C7—C6—H6A108.7
C30—Zr1—C23131.1 (2)C7'—C6—H6B131.1
C25—Zr1—C2353.8 (2)C3—C6—H6B108.7
C26—Zr1—C23135.6 (2)C7—C6—H6B108.7
C22—Zr1—C2332.5 (2)H6A—C6—H6B107.6
C29—Zr1—C23145.4 (2)C7'—C6—H6C107.4
C24—Zr1—C2332.7 (2)C3—C6—H6C107.4
Cl1—Zr1—C2392.96 (15)C7—C6—H6C66.3
C21—Zr1—C28135.5 (2)H6A—C6—H6C141.8
C30—Zr1—C2853.9 (2)H6B—C6—H6C47.7
C25—Zr1—C28132.6 (2)C7'—C6—H6D107.4
C26—Zr1—C2853.9 (2)C3—C6—H6D107.4
C22—Zr1—C28155.6 (2)C7—C6—H6D137.9
C29—Zr1—C2832.4 (2)H6A—C6—H6D49.7
C24—Zr1—C28146.9 (2)H6B—C6—H6D60.9
Cl1—Zr1—C2887.65 (18)H6C—C6—H6D106.9
C23—Zr1—C28170.0 (2)C8—C7—C6122.0 (10)
C21—Zr1—C27105.3 (2)C8—C7—H7A106.8
C30—Zr1—C2753.0 (2)C6—C7—H7A106.8
C25—Zr1—C27116.8 (2)C8—C7—H7B106.8
C26—Zr1—C2732.0 (2)C6—C7—H7B106.8
C22—Zr1—C27124.4 (2)H6C—C7—H7B96.1
C29—Zr1—C2753.4 (2)H7A—C7—H7B106.7
C24—Zr1—C27147.9 (2)C6—C7'—C8121.6 (12)
Cl1—Zr1—C2776.04 (17)C6—C7'—H7C106.9
C23—Zr1—C27156.8 (2)C8—C7'—H7C106.9
C28—Zr1—C2732.4 (2)C6—C7'—H7D106.9
C21—Zr1—B1138.1 (3)C8—C7'—H7D106.9
C30—Zr1—B1111.4 (2)H7C—C7'—H7D106.7
C25—Zr1—B1117.8 (3)C7—C8—C13116.7 (7)
C26—Zr1—B1135.8 (2)C13—C8—C7'114.7 (7)
C22—Zr1—B1112.7 (3)C7—C8—H8A108.1
C29—Zr1—B182.6 (2)C13—C8—H8A108.1
C24—Zr1—B187.2 (2)C7'—C8—H8A68.2
Cl1—Zr1—B195.79 (18)C7—C8—H8B108.1
C23—Zr1—B184.3 (2)C13—C8—H8B108.1
C28—Zr1—B185.7 (3)C7'—C8—H8B136.2
C27—Zr1—B1116.7 (2)H8A—C8—H8B107.3
C21—Zr1—H1A127 (2)C7—C8—H8C67.3
C30—Zr1—H1A92 (2)C13—C8—H8C108.6
C25—Zr1—H1A98 (2)C7'—C8—H8C108.6
C26—Zr1—H1A122 (2)C7—C8—H8D133.7
C22—Zr1—H1A117 (2)C13—C8—H8D108.6
C29—Zr1—H1A70 (2)C7'—C8—H8D108.6
C24—Zr1—H1A73 (2)H8C—C8—H8D107.6
Cl1—Zr1—H1A122 (2)C25—C21—C22107.2 (6)
C23—Zr1—H1A84 (2)C25—C21—Zr174.6 (3)
C28—Zr1—H1A87 (2)C22—C21—Zr175.1 (3)
C27—Zr1—H1A119 (2)C25—C21—H21126.4
B1—Zr1—H1A26 (2)C22—C21—H21126.4
C21—Zr1—H1B129 (2)Zr1—C21—H21116.1
C30—Zr1—H1B137 (2)C23—C22—C21108.4 (6)
C25—Zr1—H1B131 (2)C23—C22—Zr174.0 (3)
C26—Zr1—H1B143 (2)C21—C22—Zr172.0 (3)
C22—Zr1—H1B96 (2)C23—C22—H22125.8
C29—Zr1—H1B105 (2)C21—C22—H22125.8
C24—Zr1—H1B100 (2)Zr1—C22—H22120.0
Cl1—Zr1—H1B63 (2)C22—C23—C24107.9 (6)
C23—Zr1—H1B80 (2)C22—C23—Zr173.5 (3)
C28—Zr1—H1B91 (2)C24—C23—Zr173.5 (3)
C27—Zr1—H1B112 (2)C22—C23—H23126.0
B1—Zr1—H1B33 (2)C24—C23—H23126.0
H1A—Zr1—H1B59 (3)Zr1—C23—H23118.9
Cl2—Zr2—C4079.0 (2)C25—C24—C23107.4 (6)
Cl2—Zr2—C3490.3 (2)C25—C24—Zr173.1 (4)
C40—Zr2—C34100.0 (3)C23—C24—Zr173.8 (4)
Cl2—Zr2—C38132.7 (2)C25—C24—H24126.3
C40—Zr2—C3853.9 (3)C23—C24—H24126.3
C34—Zr2—C38100.7 (3)Zr1—C24—H24118.8
Cl2—Zr2—C3684.9 (3)C24—C25—C21109.1 (6)
C40—Zr2—C3633.2 (3)C24—C25—Zr174.5 (4)
C34—Zr2—C36133.0 (3)C21—C25—Zr172.5 (4)
C38—Zr2—C3654.2 (3)C24—C25—H25125.4
Cl2—Zr2—C39106.42 (19)C21—C25—H25125.4
C40—Zr2—C3932.4 (3)Zr1—C25—H25119.4
C34—Zr2—C3982.9 (2)C30—C26—C27107.8 (6)
C38—Zr2—C3932.5 (2)C30—C26—Zr173.4 (3)
C36—Zr2—C3954.4 (2)C27—C26—Zr175.1 (4)
Cl2—Zr2—C37116.3 (3)C30—C26—H26126.1
C40—Zr2—C3753.6 (3)C27—C26—H26126.1
C34—Zr2—C37133.0 (3)Zr1—C26—H26117.4
C38—Zr2—C3732.7 (3)C26—C27—C28108.9 (6)
C36—Zr2—C3732.1 (3)C26—C27—Zr172.9 (4)
C39—Zr2—C3753.7 (2)C28—C27—Zr173.3 (4)
Cl2—Zr2—C3198.5 (2)C26—C27—H27125.6
C40—Zr2—C31153.5 (3)C28—C27—H27125.6
C34—Zr2—C3153.5 (3)Zr1—C27—H27120.0
C38—Zr2—C31125.0 (3)C29—C28—C27107.2 (6)
C36—Zr2—C31172.9 (3)C29—C28—Zr173.6 (4)
C39—Zr2—C31129.6 (2)C27—C28—Zr174.3 (4)
C37—Zr2—C31143.0 (3)C29—C28—H28126.4
Cl2—Zr2—C33122.7 (2)C27—C28—H28126.4
C40—Zr2—C33105.8 (3)Zr1—C28—H28117.8
C34—Zr2—C3332.4 (3)C28—C29—C30107.3 (6)
C38—Zr2—C3379.1 (3)C28—C29—Zr174.0 (4)
C36—Zr2—C33129.7 (3)C30—C29—Zr172.8 (3)
C39—Zr2—C3376.5 (2)C28—C29—H29126.3
C37—Zr2—C33110.5 (3)C30—C29—H29126.3
C31—Zr2—C3353.3 (2)Zr1—C29—H29118.8
Cl2—Zr2—C32129.4 (2)C26—C30—C29108.8 (6)
C40—Zr2—C32135.3 (3)C26—C30—Zr174.4 (4)
C34—Zr2—C3254.0 (3)C29—C30—Zr174.4 (4)
C38—Zr2—C3292.3 (3)C26—C30—H30125.6
C36—Zr2—C32145.3 (3)C29—C30—H30125.6
C39—Zr2—C32103.3 (3)Zr1—C30—H30117.5
C37—Zr2—C32114.3 (3)C35—C31—C32108.9 (7)
C31—Zr2—C3232.7 (3)C35—C31—Zr274.6 (4)
C33—Zr2—C3232.2 (3)C32—C31—Zr273.9 (4)
Cl2—Zr2—C3576.7 (2)C35—C31—H31125.6
C40—Zr2—C35124.6 (3)C32—C31—H31125.6
C34—Zr2—C3532.4 (3)Zr2—C31—H31117.8
C38—Zr2—C35131.2 (3)C33—C32—C31106.5 (7)
C36—Zr2—C35154.9 (3)C33—C32—Zr273.8 (4)
C39—Zr2—C35114.8 (3)C31—C32—Zr273.3 (4)
C37—Zr2—C35163.7 (3)C33—C32—H32126.8
C31—Zr2—C3531.9 (3)C31—C32—H32126.8
C33—Zr2—C3553.3 (3)Zr2—C32—H32118.2
C32—Zr2—C3553.7 (3)C32—C33—C34109.0 (7)
Cl2—Zr2—B2102.28 (19)C32—C33—Zr274.0 (4)
C40—Zr2—B2125.3 (3)C34—C33—Zr272.9 (4)
C34—Zr2—B2134.3 (3)C32—C33—H33125.5
C38—Zr2—B2101.9 (3)C34—C33—H33125.5
C36—Zr2—B292.1 (3)Zr2—C33—H33119.4
C39—Zr2—B2132.4 (2)C33—C34—C35107.7 (7)
C37—Zr2—B279.7 (3)C33—C34—Zr274.7 (4)
C31—Zr2—B281.1 (3)C35—C34—Zr275.1 (4)
C33—Zr2—B2117.2 (3)C33—C34—H34126.1
C32—Zr2—B286.0 (3)C35—C34—H34126.1
C35—Zr2—B2108.3 (3)Zr2—C34—H34116.2
Cl2—Zr2—H2A73 (2)C31—C35—C34107.9 (7)
C40—Zr2—H2A116 (2)C31—C35—Zr273.5 (4)
C34—Zr2—H2A136 (2)C34—C35—Zr272.5 (4)
C38—Zr2—H2A121 (2)C31—C35—H35126.0
C36—Zr2—H2A87 (2)C34—C35—H35126.0
C39—Zr2—H2A141 (2)Zr2—C35—H35119.8
C37—Zr2—H2A90 (2)C37—C36—C40106.7 (7)
C31—Zr2—H2A88 (2)C37—C36—Zr274.2 (4)
C33—Zr2—H2A138 (2)C40—C36—Zr273.0 (4)
C32—Zr2—H2A106 (2)C37—C36—H36126.7
C35—Zr2—H2A104 (2)C40—C36—H36126.7
B2—Zr2—H2A29 (2)Zr2—C36—H36118.1
Cl2—Zr2—H2B132 (2)C36—C37—C38109.3 (7)
C40—Zr2—H2B125 (2)C36—C37—Zr273.7 (4)
C34—Zr2—H2B120 (2)C38—C37—Zr273.2 (4)
C38—Zr2—H2B80 (2)C36—C37—H37125.3
C36—Zr2—H2B97 (2)C38—C37—H37125.3
C39—Zr2—H2B113 (2)Zr2—C37—H37119.6
C37—Zr2—H2B71 (2)C39—C38—C37107.6 (8)
C31—Zr2—H2B77 (2)C39—C38—Zr274.1 (4)
C33—Zr2—H2B92 (2)C37—C38—Zr274.2 (4)
C32—Zr2—H2B66 (2)C39—C38—H38126.2
C35—Zr2—H2B108 (2)C37—C38—H38126.2
B2—Zr2—H2B30 (2)Zr2—C38—H38117.6
H2A—Zr2—H2B60 (3)C40—C39—C38108.0 (6)
C1—B1—Zr1136.9 (5)C40—C39—Zr273.3 (4)
C1—B1—H1A111 (4)C38—C39—Zr273.4 (4)
Zr1—B1—H1A56 (4)C40—C39—H39126.0
C1—B1—H1B112 (3)C38—C39—H39126.0
Zr1—B1—H1B52 (3)Zr2—C39—H39119.1
H1A—B1—H1B108 (5)C39—C40—C36108.3 (7)
C1—B1—H1C113 (4)C39—C40—Zr274.2 (4)
Zr1—B1—H1C110 (4)C36—C40—Zr273.8 (4)
H1A—B1—H1C111 (5)C39—C40—H40125.8
H1B—B1—H1C101 (5)C36—C40—H40125.8
C11—B2—Zr2130.5 (5)Zr2—C40—H40118.1
C11—B2—H2A112 (4)
C21—Zr1—B1—C17.3 (9)C22—Zr1—C24—C2337.0 (4)
C30—Zr1—B1—C1129.4 (6)C29—Zr1—C24—C23164.3 (4)
C25—Zr1—B1—C141.0 (7)Cl1—Zr1—C24—C2311.2 (4)
C26—Zr1—B1—C1155.2 (6)C28—Zr1—C24—C23161.5 (4)
C22—Zr1—B1—C118.9 (7)C27—Zr1—C24—C23136.0 (4)
C29—Zr1—B1—C1145.3 (7)B1—Zr1—C24—C2383.8 (4)
C24—Zr1—B1—C130.0 (7)C23—C24—C25—C211.6 (7)
Cl1—Zr1—B1—C195.1 (7)Zr1—C24—C25—C2164.7 (5)
C23—Zr1—B1—C12.7 (7)C23—C24—C25—Zr166.3 (4)
C28—Zr1—B1—C1177.7 (7)C22—C21—C25—C242.7 (7)
C27—Zr1—B1—C1172.4 (6)Zr1—C21—C25—C2466.0 (5)
Cl2—Zr2—B2—C1194.1 (6)C22—C21—C25—Zr168.7 (4)
C40—Zr2—B2—C119.0 (8)C21—Zr1—C25—C24116.4 (6)
C34—Zr2—B2—C11163.1 (5)C30—Zr1—C25—C24129.2 (4)
C38—Zr2—B2—C1144.9 (7)C26—Zr1—C25—C24161.1 (4)
C36—Zr2—B2—C118.9 (7)C22—Zr1—C25—C2478.1 (4)
C39—Zr2—B2—C1132.1 (8)C29—Zr1—C25—C24110.7 (4)
C37—Zr2—B2—C1120.8 (7)Cl1—Zr1—C25—C24100.8 (4)
C31—Zr2—B2—C11169.0 (7)C23—Zr1—C25—C2437.6 (4)
C33—Zr2—B2—C11128.6 (6)C28—Zr1—C25—C24132.5 (4)
C32—Zr2—B2—C11136.5 (7)C27—Zr1—C25—C24167.3 (4)
C35—Zr2—B2—C11173.9 (6)B1—Zr1—C25—C2420.7 (5)
Zr1—B1—C1—C529.0 (11)C30—Zr1—C25—C21114.4 (5)
Zr1—B1—C1—C2156.7 (5)C26—Zr1—C25—C2182.6 (4)
Zr1—B1—C1—Fe1119.9 (6)C22—Zr1—C25—C2138.2 (4)
C2—Fe1—C1—C5116.3 (5)C29—Zr1—C25—C21132.9 (4)
C13—Fe1—C1—C5148.2 (6)C24—Zr1—C25—C21116.4 (6)
C3—Fe1—C1—C580.6 (4)Cl1—Zr1—C25—C2115.5 (5)
C12—Fe1—C1—C542.5 (10)C23—Zr1—C25—C2178.8 (5)
C14—Fe1—C1—C5170.4 (4)C28—Zr1—C25—C21111.2 (5)
C15—Fe1—C1—C5125.6 (4)C27—Zr1—C25—C2176.3 (5)
C4—Fe1—C1—C536.6 (4)B1—Zr1—C25—C21137.1 (4)
C11—Fe1—C1—C582.7 (4)C21—Zr1—C26—C30109.4 (4)
C13—Fe1—C1—C231.9 (8)C25—Zr1—C26—C3076.4 (4)
C3—Fe1—C1—C235.7 (4)C22—Zr1—C26—C30124.6 (4)
C12—Fe1—C1—C2158.8 (8)C29—Zr1—C26—C3037.4 (4)
C14—Fe1—C1—C273.3 (5)C24—Zr1—C26—C3065.3 (4)
C15—Fe1—C1—C2118.1 (4)Cl1—Zr1—C26—C30157.9 (4)
C4—Fe1—C1—C279.7 (4)C23—Zr1—C26—C3098.1 (4)
C5—Fe1—C1—C2116.3 (5)C28—Zr1—C26—C3077.7 (4)
C11—Fe1—C1—C2161.0 (4)C27—Zr1—C26—C30114.2 (6)
C2—Fe1—C1—B1117.1 (7)B1—Zr1—C26—C3049.6 (5)
C13—Fe1—C1—B185.3 (8)C21—Zr1—C26—C27136.4 (5)
C3—Fe1—C1—B1152.8 (6)C30—Zr1—C26—C27114.2 (6)
C12—Fe1—C1—B184.0 (11)C25—Zr1—C26—C27169.4 (4)
C14—Fe1—C1—B143.9 (6)C22—Zr1—C26—C27121.2 (4)
C15—Fe1—C1—B11.0 (6)C29—Zr1—C26—C2776.8 (4)
C4—Fe1—C1—B1163.2 (6)C24—Zr1—C26—C27179.5 (4)
C5—Fe1—C1—B1126.6 (6)Cl1—Zr1—C26—C2743.7 (4)
C11—Fe1—C1—B143.8 (6)C23—Zr1—C26—C27147.7 (4)
C5—C1—C2—C30.8 (7)C28—Zr1—C26—C2736.4 (4)
B1—C1—C2—C3174.8 (6)B1—Zr1—C26—C2764.6 (5)
Fe1—C1—C2—C358.8 (4)C30—C26—C27—C281.7 (7)
C5—C1—C2—Fe159.6 (4)Zr1—C26—C27—C2865.0 (4)
B1—C1—C2—Fe1116.0 (6)C30—C26—C27—Zr166.7 (4)
C13—Fe1—C2—C371.8 (4)C21—Zr1—C27—C2645.1 (5)
C12—Fe1—C2—C344.2 (8)C30—Zr1—C27—C2637.5 (4)
C14—Fe1—C2—C3114.1 (4)C25—Zr1—C27—C2611.9 (5)
C15—Fe1—C2—C3154.0 (4)C22—Zr1—C27—C2674.8 (5)
C4—Fe1—C2—C338.8 (4)C29—Zr1—C27—C2678.8 (4)
C5—Fe1—C2—C383.1 (4)C24—Zr1—C27—C260.9 (7)
C1—Fe1—C2—C3122.2 (5)Cl1—Zr1—C27—C26135.3 (4)
C11—Fe1—C2—C3179.0 (7)C23—Zr1—C27—C2671.8 (7)
C13—Fe1—C2—C1166.0 (4)C28—Zr1—C27—C26116.5 (6)
C3—Fe1—C2—C1122.2 (5)B1—Zr1—C27—C26135.1 (4)
C12—Fe1—C2—C1166.4 (6)C21—Zr1—C27—C28161.5 (4)
C14—Fe1—C2—C1123.7 (4)C30—Zr1—C27—C2879.0 (4)
C15—Fe1—C2—C183.9 (4)C25—Zr1—C27—C28128.3 (4)
C4—Fe1—C2—C183.4 (4)C26—Zr1—C27—C28116.5 (6)
C5—Fe1—C2—C139.0 (4)C22—Zr1—C27—C28168.7 (4)
C11—Fe1—C2—C158.9 (9)C29—Zr1—C27—C2837.7 (4)
C1—C2—C3—C41.2 (7)C24—Zr1—C27—C28115.6 (5)
Fe1—C2—C3—C460.6 (4)Cl1—Zr1—C27—C28108.2 (4)
C1—C2—C3—C6173.1 (6)C23—Zr1—C27—C28171.7 (5)
Fe1—C2—C3—C6113.7 (7)B1—Zr1—C27—C2818.7 (5)
C1—C2—C3—Fe159.4 (4)C26—C27—C28—C292.1 (7)
C13—Fe1—C3—C2120.6 (4)Zr1—C27—C28—C2966.7 (5)
C12—Fe1—C3—C2159.2 (4)C26—C27—C28—Zr164.7 (4)
C14—Fe1—C3—C280.6 (4)C21—Zr1—C28—C2987.9 (5)
C15—Fe1—C3—C260.9 (7)C30—Zr1—C28—C2937.7 (4)
C4—Fe1—C3—C2118.0 (5)C25—Zr1—C28—C2941.6 (6)
C5—Fe1—C3—C280.4 (4)C26—Zr1—C28—C2977.8 (4)
C1—Fe1—C3—C236.9 (4)C22—Zr1—C28—C29136.8 (6)
C11—Fe1—C3—C2179.2 (6)C24—Zr1—C28—C294.9 (6)
C2—Fe1—C3—C4118.0 (5)Cl1—Zr1—C28—C29178.9 (4)
C13—Fe1—C3—C4121.4 (4)C23—Zr1—C28—C2985.2 (13)
C12—Fe1—C3—C482.7 (4)C27—Zr1—C28—C29113.7 (6)
C14—Fe1—C3—C4161.4 (4)B1—Zr1—C28—C2982.9 (4)
C15—Fe1—C3—C4178.9 (5)C21—Zr1—C28—C2725.8 (6)
C5—Fe1—C3—C437.6 (4)C30—Zr1—C28—C2776.1 (4)
C1—Fe1—C3—C481.1 (4)C25—Zr1—C28—C2772.1 (5)
C11—Fe1—C3—C462.8 (7)C26—Zr1—C28—C2736.0 (4)
C2—Fe1—C3—C6121.2 (8)C22—Zr1—C28—C2723.0 (8)
C13—Fe1—C3—C60.6 (7)C29—Zr1—C28—C27113.7 (6)
C12—Fe1—C3—C638.1 (8)C24—Zr1—C28—C27118.6 (5)
C14—Fe1—C3—C640.6 (8)Cl1—Zr1—C28—C2767.3 (4)
C15—Fe1—C3—C660.3 (10)C23—Zr1—C28—C27161.0 (11)
C4—Fe1—C3—C6120.8 (9)B1—Zr1—C28—C27163.3 (4)
C5—Fe1—C3—C6158.4 (8)C27—C28—C29—C301.6 (7)
C1—Fe1—C3—C6158.1 (8)Zr1—C28—C29—C3065.7 (5)
C11—Fe1—C3—C658.0 (10)C27—C28—C29—Zr167.2 (4)
C2—C3—C4—C51.1 (7)C21—Zr1—C29—C28119.9 (4)
C6—C3—C4—C5173.3 (6)C30—Zr1—C29—C28114.4 (6)
Fe1—C3—C4—C558.8 (4)C25—Zr1—C29—C28149.4 (4)
C2—C3—C4—Fe159.9 (4)C26—Zr1—C29—C2877.8 (4)
C6—C3—C4—Fe1114.5 (6)C22—Zr1—C29—C28129.6 (6)
C2—Fe1—C4—C338.1 (4)C24—Zr1—C29—C28177.1 (4)
C13—Fe1—C4—C371.5 (5)Cl1—Zr1—C29—C281.2 (5)
C12—Fe1—C4—C3114.3 (4)C23—Zr1—C29—C28162.2 (4)
C14—Fe1—C4—C339.2 (8)C27—Zr1—C29—C2837.7 (4)
C15—Fe1—C4—C3178.4 (8)B1—Zr1—C29—C2893.7 (4)
C5—Fe1—C4—C3119.6 (6)C21—Zr1—C29—C305.5 (6)
C1—Fe1—C4—C383.2 (4)C25—Zr1—C29—C3035.0 (5)
C11—Fe1—C4—C3155.0 (4)C26—Zr1—C29—C3036.6 (4)
C2—Fe1—C4—C581.5 (4)C22—Zr1—C29—C3015.3 (9)
C13—Fe1—C4—C5169.0 (4)C24—Zr1—C29—C3068.5 (5)
C3—Fe1—C4—C5119.6 (6)Cl1—Zr1—C29—C30115.6 (4)
C12—Fe1—C4—C5126.2 (4)C23—Zr1—C29—C3083.4 (5)
C14—Fe1—C4—C5158.8 (6)C28—Zr1—C29—C30114.4 (6)
C15—Fe1—C4—C558.8 (11)C27—Zr1—C29—C3076.7 (4)
C1—Fe1—C4—C536.4 (4)B1—Zr1—C29—C30151.9 (5)
C11—Fe1—C4—C585.4 (5)C27—C26—C30—C290.8 (7)
C2—C1—C5—C40.1 (6)Zr1—C26—C30—C2967.1 (5)
B1—C1—C5—C4175.0 (6)C27—C26—C30—Zr167.8 (4)
Fe1—C1—C5—C458.0 (4)C28—C29—C30—C260.5 (7)
C2—C1—C5—Fe158.1 (4)Zr1—C29—C30—C2667.0 (4)
B1—C1—C5—Fe1117.0 (6)C28—C29—C30—Zr166.5 (5)
C3—C4—C5—C10.6 (7)C21—Zr1—C30—C2669.3 (4)
Fe1—C4—C5—C158.5 (4)C25—Zr1—C30—C2699.1 (4)
C3—C4—C5—Fe157.9 (4)C22—Zr1—C30—C2671.7 (5)
C2—Fe1—C5—C140.2 (4)C29—Zr1—C30—C26115.1 (6)
C13—Fe1—C5—C1147.0 (6)C24—Zr1—C30—C26124.0 (4)
C3—Fe1—C5—C183.8 (4)Cl1—Zr1—C30—C2628.3 (5)
C12—Fe1—C5—C1165.9 (3)C23—Zr1—C30—C26113.2 (4)
C14—Fe1—C5—C126.7 (10)C28—Zr1—C30—C2678.0 (4)
C15—Fe1—C5—C176.8 (4)C27—Zr1—C30—C2637.3 (4)
C4—Fe1—C5—C1121.6 (6)B1—Zr1—C30—C26145.2 (4)
C11—Fe1—C5—C1120.7 (4)C21—Zr1—C30—C29175.5 (5)
C2—Fe1—C5—C481.4 (4)C25—Zr1—C30—C29145.8 (5)
C13—Fe1—C5—C425.4 (9)C26—Zr1—C30—C29115.1 (6)
C3—Fe1—C5—C437.8 (4)C22—Zr1—C30—C29173.1 (4)
C12—Fe1—C5—C472.6 (5)C24—Zr1—C30—C29120.8 (4)
C14—Fe1—C5—C4148.3 (8)Cl1—Zr1—C30—C2986.8 (5)
C15—Fe1—C5—C4161.7 (4)C23—Zr1—C30—C29131.6 (4)
C1—Fe1—C5—C4121.6 (6)C28—Zr1—C30—C2937.2 (4)
C11—Fe1—C5—C4117.7 (4)C27—Zr1—C30—C2977.9 (5)
Zr2—B2—C11—C1537.8 (10)B1—Zr1—C30—C2930.1 (5)
Zr2—B2—C11—C12143.2 (6)Cl2—Zr2—C31—C3547.1 (5)
Zr2—B2—C11—Fe1129.6 (5)C40—Zr2—C31—C3535.3 (9)
C2—Fe1—C11—C1532.7 (9)C34—Zr2—C31—C3537.0 (5)
C13—Fe1—C11—C1581.7 (4)C38—Zr2—C31—C35113.4 (5)
C3—Fe1—C11—C15145.6 (6)C39—Zr2—C31—C3572.6 (6)
C12—Fe1—C11—C15118.2 (5)C37—Zr2—C31—C35152.3 (5)
C14—Fe1—C11—C1537.3 (4)C33—Zr2—C31—C3577.7 (5)
C4—Fe1—C11—C15168.6 (3)C32—Zr2—C31—C35115.4 (7)
C5—Fe1—C11—C15123.3 (4)B2—Zr2—C31—C35148.3 (5)
C1—Fe1—C11—C1578.6 (4)Cl2—Zr2—C31—C32162.4 (4)
C2—Fe1—C11—C12150.9 (7)C40—Zr2—C31—C3280.1 (8)
C13—Fe1—C11—C1236.6 (4)C34—Zr2—C31—C3278.3 (5)
C3—Fe1—C11—C1227.3 (8)C38—Zr2—C31—C322.0 (6)
C14—Fe1—C11—C1281.0 (4)C39—Zr2—C31—C3242.7 (6)
C15—Fe1—C11—C12118.2 (5)C37—Zr2—C31—C3236.9 (7)
C4—Fe1—C11—C1273.2 (5)C33—Zr2—C31—C3237.6 (5)
C5—Fe1—C11—C12118.5 (4)C35—Zr2—C31—C32115.4 (7)
C1—Fe1—C11—C12163.2 (4)B2—Zr2—C31—C3296.4 (5)
C2—Fe1—C11—B291.7 (10)C35—C31—C32—C330.1 (8)
C13—Fe1—C11—B2153.9 (6)Zr2—C31—C32—C3366.9 (5)
C3—Fe1—C11—B290.0 (8)C35—C31—C32—Zr267.0 (5)
C12—Fe1—C11—B2117.4 (7)Cl2—Zr2—C32—C3390.5 (5)
C14—Fe1—C11—B2161.7 (6)C40—Zr2—C32—C3328.1 (7)
C15—Fe1—C11—B2124.4 (7)C34—Zr2—C32—C3336.5 (5)
C4—Fe1—C11—B244.2 (6)C38—Zr2—C32—C3365.1 (5)
C5—Fe1—C11—B21.1 (6)C36—Zr2—C32—C3379.1 (7)
C1—Fe1—C11—B245.8 (7)C39—Zr2—C32—C3334.2 (5)
C15—C11—C12—C130.3 (7)C37—Zr2—C32—C3390.1 (5)
B2—C11—C12—C13179.0 (6)C31—Zr2—C32—C33113.3 (7)
Fe1—C11—C12—C1357.9 (4)C35—Zr2—C32—C3376.9 (6)
C15—C11—C12—Fe158.2 (4)B2—Zr2—C32—C33166.9 (5)
B2—C11—C12—Fe1121.1 (6)Cl2—Zr2—C32—C3122.7 (6)
C2—Fe1—C12—C1339.2 (8)C40—Zr2—C32—C31141.3 (5)
C3—Fe1—C12—C1370.1 (5)C34—Zr2—C32—C3176.8 (5)
C14—Fe1—C12—C1338.9 (4)C38—Zr2—C32—C31178.4 (5)
C15—Fe1—C12—C1383.6 (4)C36—Zr2—C32—C31167.7 (5)
C4—Fe1—C12—C13113.0 (4)C39—Zr2—C32—C31147.5 (5)
C5—Fe1—C12—C13153.7 (4)C37—Zr2—C32—C31156.6 (4)
C1—Fe1—C12—C13173.4 (8)C33—Zr2—C32—C31113.3 (7)
C11—Fe1—C12—C13121.6 (6)C35—Zr2—C32—C3136.4 (5)
C2—Fe1—C12—C11160.8 (6)B2—Zr2—C32—C3179.8 (5)
C13—Fe1—C12—C11121.6 (6)C31—C32—C33—C341.6 (8)
C3—Fe1—C12—C11168.4 (4)Zr2—C32—C33—C3465.0 (5)
C14—Fe1—C12—C1182.7 (4)C31—C32—C33—Zr266.6 (5)
C15—Fe1—C12—C1138.0 (4)Cl2—Zr2—C33—C32113.2 (5)
C4—Fe1—C12—C11125.4 (4)C40—Zr2—C33—C32159.9 (5)
C5—Fe1—C12—C1184.7 (4)C34—Zr2—C33—C32116.2 (7)
C1—Fe1—C12—C1151.8 (10)C38—Zr2—C33—C32112.6 (5)
C11—C12—C13—C141.1 (7)C36—Zr2—C33—C32133.5 (5)
Fe1—C12—C13—C1460.4 (4)C39—Zr2—C33—C32145.7 (6)
C11—C12—C13—C8174.2 (6)C37—Zr2—C33—C32103.5 (5)
Fe1—C12—C13—C8114.9 (7)C31—Zr2—C33—C3238.3 (5)
C11—C12—C13—Fe159.3 (4)C35—Zr2—C33—C3278.4 (6)
C2—Fe1—C13—C12161.5 (4)B2—Zr2—C33—C3214.7 (6)
C3—Fe1—C13—C12122.9 (4)Cl2—Zr2—C33—C343.0 (5)
C14—Fe1—C13—C12117.9 (6)C40—Zr2—C33—C3483.9 (5)
C15—Fe1—C13—C1279.7 (4)C38—Zr2—C33—C34131.1 (5)
C4—Fe1—C13—C1283.6 (4)C36—Zr2—C33—C34110.3 (5)
C5—Fe1—C13—C1265.1 (8)C39—Zr2—C33—C3498.0 (5)
C1—Fe1—C13—C12175.2 (6)C37—Zr2—C33—C34140.3 (5)
C11—Fe1—C13—C1236.5 (4)C31—Zr2—C33—C3477.9 (5)
C2—Fe1—C13—C1480.6 (5)C32—Zr2—C33—C34116.2 (7)
C3—Fe1—C13—C14119.3 (4)C35—Zr2—C33—C3437.8 (5)
C12—Fe1—C13—C14117.9 (6)B2—Zr2—C33—C34131.0 (5)
C15—Fe1—C13—C1438.1 (4)C32—C33—C34—C352.7 (8)
C4—Fe1—C13—C14158.6 (4)Zr2—C33—C34—C3568.4 (5)
C5—Fe1—C13—C14177.0 (6)C32—C33—C34—Zr265.8 (5)
C1—Fe1—C13—C1457.4 (8)Cl2—Zr2—C34—C33177.5 (4)
C11—Fe1—C13—C1481.4 (4)C40—Zr2—C34—C33103.7 (5)
C2—Fe1—C13—C838.6 (8)C38—Zr2—C34—C3348.8 (5)
C3—Fe1—C13—C80.0 (7)C36—Zr2—C34—C3399.2 (6)
C12—Fe1—C13—C8122.9 (8)C39—Zr2—C34—C3376.0 (5)
C14—Fe1—C13—C8119.2 (8)C37—Zr2—C34—C3354.9 (6)
C15—Fe1—C13—C8157.4 (7)C31—Zr2—C34—C3377.1 (5)
C4—Fe1—C13—C839.3 (8)C32—Zr2—C34—C3336.2 (4)
C5—Fe1—C13—C857.8 (11)C35—Zr2—C34—C33113.6 (7)
C1—Fe1—C13—C861.8 (10)B2—Zr2—C34—C3369.8 (6)
C11—Fe1—C13—C8159.4 (7)Cl2—Zr2—C34—C3563.9 (5)
C12—C13—C14—C151.5 (7)C40—Zr2—C34—C35142.8 (5)
C8—C13—C14—C15174.0 (6)C38—Zr2—C34—C35162.4 (5)
Fe1—C13—C14—C1559.0 (4)C36—Zr2—C34—C35147.2 (5)
C12—C13—C14—Fe160.5 (4)C39—Zr2—C34—C35170.4 (5)
C8—C13—C14—Fe1115.0 (6)C37—Zr2—C34—C35168.4 (5)
C2—Fe1—C14—C13114.6 (4)C31—Zr2—C34—C3536.4 (5)
C3—Fe1—C14—C1373.4 (5)C33—Zr2—C34—C35113.6 (7)
C12—Fe1—C14—C1338.5 (4)C32—Zr2—C34—C3577.3 (6)
C15—Fe1—C14—C13118.9 (6)B2—Zr2—C34—C3543.7 (7)
C4—Fe1—C14—C1345.7 (8)C32—C31—C35—C341.7 (8)
C5—Fe1—C14—C13176.2 (8)Zr2—C31—C35—C3464.9 (5)
C1—Fe1—C14—C13155.9 (4)C32—C31—C35—Zr266.6 (5)
C11—Fe1—C14—C1382.4 (4)C33—C34—C35—C312.7 (8)
C2—Fe1—C14—C15126.5 (4)Zr2—C34—C35—C3165.5 (5)
C13—Fe1—C14—C15118.9 (6)C33—C34—C35—Zr268.2 (5)
C3—Fe1—C14—C15167.7 (4)Cl2—Zr2—C35—C31131.9 (5)
C12—Fe1—C14—C1580.4 (4)C40—Zr2—C35—C31161.8 (5)
C4—Fe1—C14—C15164.6 (6)C34—Zr2—C35—C31115.4 (7)
C5—Fe1—C14—C1564.9 (10)C38—Zr2—C35—C3192.1 (6)
C1—Fe1—C14—C1585.2 (4)C36—Zr2—C35—C31175.7 (6)
C11—Fe1—C14—C1536.4 (4)C39—Zr2—C35—C31125.9 (5)
C12—C11—C15—C140.7 (6)C37—Zr2—C35—C3184.0 (12)
B2—C11—C15—C14179.9 (6)C33—Zr2—C35—C3177.6 (5)
Fe1—C11—C15—C1458.6 (4)C32—Zr2—C35—C3137.3 (5)
C12—C11—C15—Fe157.9 (4)B2—Zr2—C35—C3133.2 (6)
B2—C11—C15—Fe1121.3 (6)Cl2—Zr2—C35—C34112.6 (5)
C13—C14—C15—C111.4 (7)C40—Zr2—C35—C3446.3 (6)
Fe1—C14—C15—C1159.9 (4)C38—Zr2—C35—C3423.3 (7)
C13—C14—C15—Fe158.5 (4)C36—Zr2—C35—C3468.8 (9)
C2—Fe1—C15—C11168.6 (3)C39—Zr2—C35—C3410.5 (6)
C13—Fe1—C15—C1182.6 (4)C37—Zr2—C35—C3431.5 (14)
C3—Fe1—C15—C11148.2 (6)C31—Zr2—C35—C34115.4 (7)
C12—Fe1—C15—C1138.5 (3)C33—Zr2—C35—C3437.8 (5)
C14—Fe1—C15—C11120.9 (5)C32—Zr2—C35—C3478.1 (5)
C4—Fe1—C15—C1134.3 (10)B2—Zr2—C35—C34148.6 (5)
C5—Fe1—C15—C1180.3 (4)Cl2—Zr2—C36—C37168.9 (4)
C1—Fe1—C15—C11123.2 (3)C40—Zr2—C36—C37113.5 (7)
C2—Fe1—C15—C1470.5 (4)C34—Zr2—C36—C37105.5 (5)
C13—Fe1—C15—C1438.3 (4)C38—Zr2—C36—C3736.5 (4)
C3—Fe1—C15—C1427.3 (8)C39—Zr2—C36—C3776.7 (5)
C12—Fe1—C15—C1482.4 (4)C33—Zr2—C36—C3762.0 (6)
C4—Fe1—C15—C14155.2 (8)C32—Zr2—C36—C3719.2 (7)
C5—Fe1—C15—C14158.7 (4)C35—Zr2—C36—C37148.6 (6)
C1—Fe1—C15—C14115.9 (4)B2—Zr2—C36—C3766.7 (5)
C11—Fe1—C15—C14120.9 (5)Cl2—Zr2—C36—C4077.7 (5)
C2—C3—C6—C7'113.6 (13)C34—Zr2—C36—C408.0 (8)
C4—C3—C6—C7'59.7 (13)C38—Zr2—C36—C4077.0 (5)
Fe1—C3—C6—C7'27.5 (14)C39—Zr2—C36—C4036.7 (5)
C2—C3—C6—C762.3 (11)C37—Zr2—C36—C40113.5 (7)
C4—C3—C6—C7111.0 (9)C33—Zr2—C36—C4051.4 (7)
Fe1—C3—C6—C723.8 (11)C32—Zr2—C36—C4094.2 (7)
C7'—C6—C7—C848.7 (13)C35—Zr2—C36—C4035.1 (10)
C3—C6—C7—C860.0 (14)B2—Zr2—C36—C40179.8 (6)
C3—C6—C7'—C858.3 (17)C40—C36—C37—C381.3 (8)
C7—C6—C7'—C837.7 (10)Zr2—C36—C37—C3865.0 (5)
C6—C7—C8—C1361.2 (14)C40—C36—C37—Zr266.4 (5)
C6—C7—C8—C7'37.3 (10)Cl2—Zr2—C37—C3612.4 (5)
C12—C13—C8—C7115.5 (10)C40—Zr2—C37—C3638.6 (5)
C14—C13—C8—C759.0 (12)C34—Zr2—C37—C36105.6 (5)
Fe1—C13—C8—C727.2 (12)C38—Zr2—C37—C36116.7 (7)
C12—C13—C8—C7'67.2 (11)C39—Zr2—C37—C3679.2 (5)
C14—C13—C8—C7'107.3 (10)C31—Zr2—C37—C36170.9 (4)
Fe1—C13—C8—C7'21.0 (11)C33—Zr2—C37—C36133.5 (5)
C6—C7'—C8—C748.2 (13)C32—Zr2—C37—C36168.2 (4)
C6—C7'—C8—C1355.3 (17)C35—Zr2—C37—C36128.1 (11)
C30—Zr1—C21—C2563.5 (4)B2—Zr2—C37—C36111.1 (5)
C26—Zr1—C21—C2593.7 (4)Cl2—Zr2—C37—C38129.1 (5)
C22—Zr1—C21—C25113.0 (6)C40—Zr2—C37—C3878.0 (6)
C29—Zr1—C21—C2560.5 (5)C34—Zr2—C37—C3811.1 (8)
C24—Zr1—C21—C2536.1 (4)C36—Zr2—C37—C38116.7 (7)
Cl1—Zr1—C21—C25167.4 (4)C39—Zr2—C37—C3837.5 (5)
C23—Zr1—C21—C2576.6 (4)C31—Zr2—C37—C3872.4 (7)
C28—Zr1—C21—C25102.0 (5)C33—Zr2—C37—C3816.8 (6)
C27—Zr1—C21—C25116.0 (4)C32—Zr2—C37—C3851.5 (6)
B1—Zr1—C21—C2564.3 (6)C35—Zr2—C37—C3811.4 (14)
C30—Zr1—C21—C22176.5 (4)B2—Zr2—C37—C38132.2 (6)
C25—Zr1—C21—C22113.0 (6)C36—C37—C38—C391.8 (8)
C26—Zr1—C21—C22153.3 (5)Zr2—C37—C38—C3967.1 (5)
C29—Zr1—C21—C22173.4 (4)C36—C37—C38—Zr265.3 (5)
C24—Zr1—C21—C2276.9 (4)Cl2—Zr2—C38—C3942.8 (5)
Cl1—Zr1—C21—C2254.5 (4)C40—Zr2—C38—C3936.9 (4)
C23—Zr1—C21—C2236.4 (4)C34—Zr2—C38—C3957.7 (5)
C28—Zr1—C21—C22145.1 (4)C36—Zr2—C38—C3978.2 (5)
C27—Zr1—C21—C22131.1 (4)C37—Zr2—C38—C39114.0 (8)
B1—Zr1—C21—C2248.7 (6)C31—Zr2—C38—C39110.4 (5)
C25—C21—C22—C232.7 (7)C33—Zr2—C38—C3982.0 (5)
Zr1—C21—C22—C2365.6 (4)C32—Zr2—C38—C39111.5 (5)
C25—C21—C22—Zr168.3 (4)C35—Zr2—C38—C3970.2 (6)
C21—Zr1—C22—C23116.0 (6)B2—Zr2—C38—C39162.2 (5)
C30—Zr1—C22—C23111.6 (4)Cl2—Zr2—C38—C3771.2 (6)
C25—Zr1—C22—C2377.7 (4)C40—Zr2—C38—C3777.1 (6)
C26—Zr1—C22—C23144.5 (4)C34—Zr2—C38—C37171.8 (6)
C29—Zr1—C22—C23101.4 (7)C36—Zr2—C38—C3735.8 (5)
C24—Zr1—C22—C2337.3 (4)C39—Zr2—C38—C37114.0 (8)
Cl1—Zr1—C22—C23121.2 (4)C31—Zr2—C38—C37135.5 (6)
C28—Zr1—C22—C23167.5 (5)C33—Zr2—C38—C37163.9 (6)
C27—Zr1—C22—C23177.8 (4)C32—Zr2—C38—C37134.5 (6)
B1—Zr1—C22—C2331.1 (5)C35—Zr2—C38—C37175.8 (5)
C30—Zr1—C22—C214.4 (5)B2—Zr2—C38—C3748.1 (6)
C25—Zr1—C22—C2138.3 (4)C37—C38—C39—C401.5 (8)
C26—Zr1—C22—C2128.5 (5)Zr2—C38—C39—C4065.7 (5)
C29—Zr1—C22—C2114.6 (9)C37—C38—C39—Zr267.2 (5)
C24—Zr1—C22—C2178.7 (5)Cl2—Zr2—C39—C4033.4 (5)
Cl1—Zr1—C22—C21122.8 (4)C34—Zr2—C39—C40121.6 (5)
C23—Zr1—C22—C21116.0 (6)C38—Zr2—C39—C40115.2 (7)
C28—Zr1—C22—C2176.6 (7)C36—Zr2—C39—C4037.6 (5)
C27—Zr1—C22—C2161.8 (5)C37—Zr2—C39—C4077.5 (5)
B1—Zr1—C22—C21147.1 (4)C31—Zr2—C39—C40149.8 (5)
C21—C22—C23—C241.7 (7)C33—Zr2—C39—C40154.0 (5)
Zr1—C22—C23—C2466.0 (4)C32—Zr2—C39—C40171.9 (5)
C21—C22—C23—Zr164.3 (4)C35—Zr2—C39—C40116.0 (5)
C21—Zr1—C23—C2236.8 (4)B2—Zr2—C39—C4091.3 (5)
C30—Zr1—C23—C2295.1 (5)Cl2—Zr2—C39—C38148.6 (4)
C25—Zr1—C23—C2277.7 (5)C40—Zr2—C39—C38115.2 (7)
C26—Zr1—C23—C2250.7 (5)C34—Zr2—C39—C38123.1 (5)
C29—Zr1—C23—C22140.6 (5)C36—Zr2—C39—C3877.6 (5)
C24—Zr1—C23—C22115.0 (6)C37—Zr2—C39—C3837.7 (5)
Cl1—Zr1—C23—C2255.8 (4)C31—Zr2—C39—C3895.0 (5)
C28—Zr1—C23—C22149.1 (12)C33—Zr2—C39—C3890.8 (5)
C27—Zr1—C23—C224.6 (8)C32—Zr2—C39—C3872.8 (5)
B1—Zr1—C23—C22151.4 (4)C35—Zr2—C39—C38128.8 (5)
C21—Zr1—C23—C2478.1 (4)B2—Zr2—C39—C3823.9 (6)
C30—Zr1—C23—C2419.9 (5)C38—C39—C40—C360.7 (8)
C25—Zr1—C23—C2437.2 (4)Zr2—C39—C40—C3666.5 (5)
C26—Zr1—C23—C2464.3 (5)C38—C39—C40—Zr265.8 (5)
C22—Zr1—C23—C24115.0 (6)C37—C36—C40—C390.4 (8)
C29—Zr1—C23—C2425.6 (6)Zr2—C36—C40—C3966.8 (5)
Cl1—Zr1—C23—C24170.8 (4)C37—C36—C40—Zr267.2 (5)
C28—Zr1—C23—C2495.9 (13)Cl2—Zr2—C40—C39147.5 (5)
C27—Zr1—C23—C24110.4 (6)C34—Zr2—C40—C3959.1 (5)
B1—Zr1—C23—C2493.6 (4)C38—Zr2—C40—C3936.9 (4)
C22—C23—C24—C250.0 (7)C36—Zr2—C40—C39115.0 (7)
Zr1—C23—C24—C2565.9 (4)C37—Zr2—C40—C3977.8 (5)
C22—C23—C24—Zr166.0 (4)C31—Zr2—C40—C3960.5 (8)
C21—Zr1—C24—C2536.7 (4)C33—Zr2—C40—C3926.3 (5)
C30—Zr1—C24—C2550.5 (4)C32—Zr2—C40—C3911.2 (6)
C26—Zr1—C24—C2521.1 (5)C35—Zr2—C40—C3982.3 (5)
C22—Zr1—C24—C2577.4 (5)B2—Zr2—C40—C39115.2 (5)
C29—Zr1—C24—C2581.3 (5)Cl2—Zr2—C40—C3697.5 (6)
Cl1—Zr1—C24—C25103.2 (4)C34—Zr2—C40—C36174.1 (6)
C23—Zr1—C24—C25114.4 (6)C38—Zr2—C40—C3678.1 (6)
C28—Zr1—C24—C2584.1 (6)C39—Zr2—C40—C36115.0 (7)
C27—Zr1—C24—C2521.6 (6)C37—Zr2—C40—C3637.2 (5)
B1—Zr1—C24—C25161.7 (4)C31—Zr2—C40—C36175.5 (6)
C21—Zr1—C24—C2377.7 (4)C33—Zr2—C40—C36141.3 (6)
C30—Zr1—C24—C23164.9 (4)C32—Zr2—C40—C36126.2 (6)
C25—Zr1—C24—C23114.4 (6)C35—Zr2—C40—C36162.7 (5)
C26—Zr1—C24—C23135.5 (4)B2—Zr2—C40—C360.2 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C25—H25···Cl1i0.952.753.466 (7)133
C28—H28···Cl1ii0.952.803.496 (8)131
C30—H30···Cl20.952.823.623 (7)143
Symmetry codes: (i) x+2, y+1/2, z+3/2; (ii) x+2, y, z+1.
Selected bond lengths (Å) top
Zr1—Cl12.506 (2)Zr2—Cl22.4616 (17)
Zr1—B12.551 (6)Zr2—B22.593 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C25—H25···Cl1i0.95002.75003.466 (7)133.00
C28—H28···Cl1ii0.95002.80003.496 (8)131.00
C30—H30···Cl20.95002.82003.623 (7)143.00
Symmetry codes: (i) x+2, y+1/2, z+3/2; (ii) x+2, y, z+1.
references
References top

Blessing, R. H. (1995). Acta Cryst. A51, 33–38.

Edelstein, N. (1981). Inorg. Chem. 20, 297–299.

Reichert, A. (2013). PhD thesis, University of Frankfurt, Germany.

Reichert, A., Bolte, M., Lerner, H.-W. & Wagner, M. (2013a). Dalton Trans. 42, 688–694.

Reichert, A., Bolte, M., Lerner, H.-W. & Wagner, M. (2013b). J. Organomet. Chem. 744, 15–23.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Spek, A. L. (2009). Acta Cryst. D65, 148–155.

Stoe & Cie (2001). X-AREA. Stoe & Cie, Darmstadt, Germany.

Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.