Crystallography Open Database

Information card for entry 7025161

Preview

Coordinates	7025161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cl0 Fe2 N12 O9
Calculated formula	C52 H42 Fe2 N12 O9
Title of publication	Synthesis, magnetic and photomagnetic study of new iron(ii) spin-crossover complexes with N4O2 coordination sphere
Authors of publication	Zhang, Li; Xu, Guan-Cheng; Xu, Hong-Bin; Mereacre, Valeriu; Wang, Zhe-Ming; Powell, Annie K.; Gao, Song
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4856
a	18.485 ± 0.004 Å
b	24.52 ± 0.005 Å
c	11.575 ± 0.002 Å
α	90°
β	104.7 ± 0.03°
γ	90°
Cell volume	5074.7 ± 1.9 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
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	0.1103
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179956 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/51.	7025161.cif
92866	2014-01-12	cif/ Adding structures of 7025158, 7025159, 7025160, 7025161, 7025162, 7025163, 7025164 via cif-deposit CGI script.	7025161.cif