Crystallography Open Database

Information card for entry 1515547

Preview

Coordinates	1515547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Cl2 Cr Fe Mn N4 O14
Calculated formula	C27 H26 Cl2 Cr Fe Mn N4 O14
Title of publication	A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover
Authors of publication	Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	6
Pages of publication	1121
a	11.5561 ± 0.0003 Å
b	31.6369 ± 0.0007 Å
c	9.5457 ± 0.0003 Å
α	90°
β	109.984 ± 0.003°
γ	90°
Cell volume	3279.77 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515547.cif
111858	2014-04-28	cif/ Adding structures of 1515547, 1515548, 1515549, 1515550 via cif-deposit CGI script.	1515547.cif