Crystallography Open Database

Information card for entry 4114811

Preview

Coordinates	4114811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 B2 O5
Calculated formula	C12 H24 B2 O5
Title of publication	σ-Borane and Dihydroborate Complexes of Ruthenium
Authors of publication	Virginia Montiel-Palma; María Lumbierres; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5624 - 5625
a	6.43 ± 0.009 Å
b	20.827 ± 0.004 Å
c	11.58 ± 0.002 Å
α	90°
β	94.6 ± 0.03°
γ	90°
Cell volume	1546 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178919 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/48.	4114811.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114811.cif
68175	2012-10-19	cif/ Adding structures of 4114811 via cif-deposit CGI script.	4114811.cif