Crystallography Open Database

Information card for entry 7112058

7112057 << 7112058 >> 7112059

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Coordinates	7112058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H67 Fe2 Mo2 N37 O9
Calculated formula	C62 H43 Fe2 Mo2 N37 O9
Title of publication	Photo- and thermo-induced spin crossover in a cyanide-bridged {Mo^V^~2Fe^II^~2~} rhombus molecule
Authors of publication	A. Mondal; Y. Li; L.-M. Chamoreau; M. Seuleiman; L. Rechignat; A. Bousseksou; M.-L. Boillot; R. Lescouēzec
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2893
a	13.0803 ± 0.0004 Å
b	17.4938 ± 0.0006 Å
c	17.6157 ± 0.0005 Å
α	90°
β	95.16 ± 0.002°
γ	90°
Cell volume	4014.6 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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