Crystallography Open Database

Information card for entry 7112199

Preview

Coordinates	7112199.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	X-ray-induced phase transitions by selective excitation of heterometal ions in a cyanide-bridged Fe-Co molecular square
Authors of publication	Yoshihiro Sekine; Masayuki Nihei; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hiroki Oshio
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4050
a	24.682 ± 0.004 Å
b	18.626 ± 0.003 Å
c	29.15 ± 0.005 Å
α	90°
β	113.266 ± 0.002°
γ	90°
Cell volume	12311 ± 4 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	0.1023
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.2028
Weighted residual factors for all reflections included in the refinement	0.2289
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112199.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112199.cif
108181	2014-03-28	cif/ Adding structures of 7112199, 7112200 via cif-deposit CGI script.	7112199.cif