Crystallography Open Database

Information card for entry 4308992

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Coordinates	4308992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 B4 Zr
Calculated formula	C31.904 H64 B4 Zr
Title of publication	Synthesis and X-ray and Neutron Structures of Zr{(μ-H)2BC8H14}4
Authors of publication	Errun Ding; Bin Du; Edward A. Meyers; Sheldon G. Shore; Muhammed Yousufuddin; Robert Bau; Garry J. McIntyre
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2459 - 2464
a	11.2467 ± 0.0001 Å
b	11.3887 ± 0.0001 Å
c	12.8985 ± 0.0001 Å
α	92.65°
β	96.55°
γ	91.8°
Cell volume	1638.45 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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