Crystallography Open Database

Information card for entry 7216871

Preview

Coordinates	7216871.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(H2O)4(MeCN)2][NO3]
Formula	C2 H7 Co0.5 N2 O5
Calculated formula	C2 H7 Co0.5 N2 O5
Title of publication	Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system
Authors of publication	Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2001
Journal issue	13
Pages of publication	1569
a	7.8179 ± 0.001 Å
b	12.7715 ± 0.0008 Å
c	7.9825 ± 0.0006 Å
α	90°
β	117.723 ± 0.009°
γ	90°
Cell volume	705.53 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0755
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216871.cif
118532	2014-06-30	cif/ Adding structures of 7216868, 7216869, 7216870, 7216871 via cif-deposit CGI script.	7216871.cif