Crystallography Open Database

Information card for entry 4305089

Preview

Coordinates	4305089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl2 Fe N20 O10
Calculated formula	C18 H28 Cl2 Fe N20 O10
Title of publication	A New Family of Spin-Crossover Complexes Based on a FeII(Tetrazolyl)4(MeCN)2- Type Core
Authors of publication	Agata Białońska; Robert Bronisz; Marek Weselski
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4436 - 4438
a	8.968 ± 0.002 Å
b	10.205 ± 0.004 Å
c	11.435 ± 0.003 Å
α	68.05 ± 0.03°
β	85.64 ± 0.02°
γ	63.39 ± 0.03°
Cell volume	862.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179088 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/50.	4305089.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305089.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305089.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4305089.cif