Crystallography Open Database

Information card for entry 7025158

Preview

Coordinates	7025158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Fe N6 O2
Calculated formula	C26 H20 Fe N6 O2
SMILES	[Fe]1234([n]5ccccc5C=[N]1N=C(c1ccccc1)O3)[n]1ccccc1C=[N]2N=C(c1ccccc1)O4
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	9.778 ± 0.002 Å
b	23.745 ± 0.005 Å
c	10.281 ± 0.002 Å
α	90°
β	103.96 ± 0.03°
γ	90°
Cell volume	2316.5 ± 0.9 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7025158.cif
92866	2014-01-12	cif/ Adding structures of 7025158, 7025159, 7025160, 7025161, 7025162, 7025163, 7025164 via cif-deposit CGI script.	7025158.cif