Crystallography Open Database

Information card for entry 4073332

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Coordinates	4073332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 F6 N2 Zr2
Calculated formula	C48 H36 F6 N2 Zr2
Title of publication	CC and CN Coupling of Nitriles Mediated by B(C6F5)3and Cp2ZrPh2
Authors of publication	Choukroun, Robert; Lorber, Christian; Vendier, Laure
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	15
Pages of publication	3784
a	27.057 ± 0.005 Å
b	9.938 ± 0.002 Å
c	16.465 ± 0.003 Å
α	90°
β	103.1 ± 0.03°
γ	90°
Cell volume	4312.1 ± 1.5 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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