Crystallography Open Database

Information card for entry 4078447

Preview

Coordinates	4078447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.75 H29 B10 Cl Zr
Calculated formula	C21.75 H28.75 B10 Cl Zr
Title of publication	Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary
Authors of publication	Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4435
a	7.9728 ± 0.0014 Å
b	10.4442 ± 0.0018 Å
c	31.469 ± 0.005 Å
α	84.831 ± 0.003°
β	84.646 ± 0.003°
γ	75.807 ± 0.003°
Cell volume	2523.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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