Crystallography Open Database

Information card for entry 7112200

Preview

Coordinates	7112200.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	24.639 ± 0.002 Å
b	19.1926 ± 0.0016 Å
c	29.908 ± 0.002 Å
α	90°
β	115.207 ± 0.002°
γ	90°
Cell volume	12796.3 ± 1.7 Å³
Cell temperature	14 ± 2 K
Ambient diffraction temperature	14 ± 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	0.1162
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.3193
Weighted residual factors for all reflections included in the refinement	0.3334
Goodness-of-fit parameter for all reflections included in the refinement	1.446
Diffraction radiation wavelength	1 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180236 (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 7/11/22.	7112200.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112200.cif
108181	2014-03-28	cif/ Adding structures of 7112199, 7112200 via cif-deposit CGI script.	7112200.cif