Crystallography Open Database

Information card for entry 7224150

Preview

Coordinates	7224150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H79 B4 Co2 F8 Fe2 N34 O12.5
Calculated formula	C69 H60 B4 Co2 F8 Fe2 N34 O12.5
Title of publication	One synthesis: two redox states. Temperature-oriented crystallization of a charge transfer {Fe2Co2} square complex in a {FeIILSCoIIILS}2 diamagnetic or {FeIIILSCoIIHS}2 paramagnetic state.
Authors of publication	De, Siddhartha; Jimenez, Juan Ramòn; Li, Yanling; Chamoreau, Lise-Marie; Journaux, Yves; Bousseksou, Azzedine; flambard, alexandrine; Lescouëzec, Rodrigue
Journal of publication	RSC Adv.
Year of publication	2016
a	15.0458 ± 0.0003 Å
b	17.5052 ± 0.0004 Å
c	19.0698 ± 0.0005 Å
α	85.058 ± 0.001°
β	78.287 ± 0.001°
γ	84.843 ± 0.001°
Cell volume	4886.2 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176227 (current)	2016-02-05	cif/ Adding structures of 7224149, 7224150 via cif-deposit CGI script.	7224150.cif