Crystallography Open Database

Information card for entry 4325016

Preview

Coordinates	4325016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H34 B9 Co O6 S2
Calculated formula	C19 H34 B9 Co O6 S2
Title of publication	Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate
Authors of publication	Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4187 - 4194
a	10.1943 ± 0.0013 Å
b	16.673 ± 0.002 Å
c	32.4719 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5519.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4325016.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325016.cif
43467	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325016 via cif-deposit CGI script.	4325016.cif