Crystallography Open Database

Information card for entry 4348231

Preview

Coordinates	4348231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
Calculated formula	C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
Title of publication	Investigation of the light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] complex by X-ray diffraction and absorption measurements
Authors of publication	Sekine, Yoshihiro; Nihei, Masayuki; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Oshio, Hiroki
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	7
Pages of publication	540
a	24.56 ± 0.03 Å
b	19.67 ± 0.02 Å
c	29.88 ± 0.04 Å
α	90°
β	114.159 ± 0.018°
γ	90°
Cell volume	13171 ± 3 Å³
Cell temperature	24 ± 2 K
Ambient diffraction temperature	24 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2931
Residual factor for significantly intense reflections	0.1295
Weighted residual factors for significantly intense reflections	0.3066
Weighted residual factors for all reflections included in the refinement	0.3882
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
232837 (current)	2019-11-23	cif/ Adding structures of 4348231 via cif-deposit CGI script.	4348231.cif