Crystallography Open Database

Information card for entry 4109134

Preview

Coordinates	4109134.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tert-Butylamidophenyltris-(1-tert-butyl-imidazol-2-ylidene)boratocobalt(II)
Formula	C31 H47 B Co N7
Calculated formula	C10.9412 H16.8824 B0.352941 Co0.352941 N2.47059
Title of publication	Formation of a Cobalt(III) Imido from a Cobalt(II) Amido Complex. Evidence for Proton-Coupled Electron Transfer
Authors of publication	Ryan E. Cowley; Ranko P. Bontchev; John Sorrell; Orcino Sarracino; Yanhua Feng; Haobin Wang; Jeremy M. Smith
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2424 - 2425
a	15.777 ± 0.003 Å
b	11.349 ± 0.002 Å
c	30.139 ± 0.006 Å
α	90°
β	105.16 ± 0.01°
γ	90°
Cell volume	5208.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109134.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109134.cif
57888	2012-05-23	cif/ Adding structures of 4109134 via cif-deposit CGI script.	4109134.cif