Crystallography Open Database

Information card for entry 4317385

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Coordinates	4317385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 B16 Zr2
Calculated formula	C20 H40.5 B16 Zr2
Title of publication	Formation of Metallaboranes from the Group IV Transition Metals and Pentaborane(9): Crystal and Molecular Structure of [(Cp2Zr)2B5H8][B11H14]
Authors of publication	Rhodri Ll. Thomas; Nigam P. Rath; Lawrence Barton
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	67 - 75
a	16.2169 ± 0.0001 Å
b	23.4676 ± 0.0001 Å
c	16.3222 ± 0.0002 Å
α	90°
β	90.744 ± 0.001°
γ	90°
Cell volume	6211.24 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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