Crystallography Open Database

Information card for entry 4341235

Preview

Coordinates	4341235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H41 Cl25 Co N
Calculated formula	C42.5 H41 Cl25 Co N
Title of publication	Homoleptic Organocobalt(III) Compounds with Intermediate Spin
Authors of publication	García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141006123300006
a	13.3192 ± 0.0003 Å
b	15.3615 ± 0.0004 Å
c	16.3479 ± 0.0006 Å
α	117.445 ± 0.003°
β	92.385 ± 0.003°
γ	95.37 ± 0.002°
Cell volume	2941.73 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
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.	4341235.cif
125001	2014-10-07	cif/ Adding structures of 4341235 via cif-deposit CGI script.	4341235.cif