Crystallography Open Database

Information card for entry 7234122

Preview

Coordinates	7234122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 B6 Co F3 N7 O2
Calculated formula	C52 B6 Co F3 N7 O2
Title of publication	Spin-crossover, mesomorphic and thermoelectrical properties of cobalt(ii) complexes with alkylated N3-Schiff bases
Authors of publication	Norbani Abdullah; Nur Linahafizza Md Noor; Abdul Rahman Nordin; Malcolm A. Halcrow; Douglas R. MacFarlane; Manoj A. Lazar; Jennifer M. Pringle; Duncan W. Bruce; Bertrand Donnio; Benoit Heinrich
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2491 - 2499
a	17.1066 ± 0.0013 Å
b	9.3515 ± 0.0007 Å
c	21.8195 ± 0.0016 Å
α	90°
β	107.637 ± 0.001°
γ	90°
Cell volume	3326.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.3321
Residual factor for significantly intense reflections	0.2929
Weighted residual factors for significantly intense reflections	0.6757
Weighted residual factors for all reflections included in the refinement	0.6942
Goodness-of-fit parameter for all reflections included in the refinement	5.398
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
218809 (current)	2019-09-25	cif/ Adding structures of 7234122 via cif-deposit CGI script.	7234122.cif