Crystallography Open Database

Information card for entry 4325018

Preview

Coordinates	4325018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H82 B20 Cl2 Co2 O17 S4
Calculated formula	C47 H82 B20 Cl2 Co2 O17 S4
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	16.058 ± 0.0017 Å
b	13.4281 ± 0.0015 Å
c	33.516 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7227 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
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	0.0915
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325018.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325018.cif
43469	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325018 via cif-deposit CGI script.	4325018.cif