Crystallography Open Database

Information card for entry 7702454

Preview

Coordinates	7702454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Br2 Cl2 Co3 N12
Calculated formula	C41 H34 Br2 Cl2 Co3 N12
Title of publication	Structural and magnetic properties of Co3(dpa)4Br2 †
Authors of publication	Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	4
Pages of publication	386
a	12.953 ± 0.001 Å
b	14.055 ± 0.001 Å
c	11.264 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2050.7 ± 0.3 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for all reflections	0.1436
Weighted residual factors for significantly intense reflections	0.137
Goodness-of-fit parameter for all reflections	1.075
Goodness-of-fit parameter for significantly intense reflections	1.101
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
243871 (current)	2019-11-28	cif/ Adding structures of 7702452, 7702453, 7702454, 7702455, 7702456, 7702457, 7702458, 7702459, 7702460, 7702461, 7702462 via cif-deposit CGI script.	7702454.cif