Crystallography Open Database

Information card for entry 4313117

Preview

Coordinates	4313117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 B10 P
Calculated formula	C20 H31 B10 P
Title of publication	The Solid State Structure of [B10H11]- and Its Dynamic NMR Spectra in Solution
Authors of publication	Sheldon G. Shore; Ewan J. M. Hamilton; Adam N. Bridges; Joseph Bausch; Jeanette A. Krause-Bauer; Danan Dou; Jianping Liu; Shengming Liu; Bin Du; Heather Hall; Edward A. Meyers; Karl E. Vermillion
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1175 - 1186
a	11.7054 ± 0.001 Å
b	15.2981 ± 0.001 Å
c	15.1278 ± 0.001 Å
α	90°
β	112.58 ± 0.01°
γ	90°
Cell volume	2501.3 ± 0.4 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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