Crystallography Open Database

Information card for entry 4340621

Preview

Coordinates	4340621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Cl2 Fe N10 O9
Calculated formula	C31 H48 Cl2 Fe N10 O9
Title of publication	Spin Crossover Star-Shaped Metallomesogens of Iron(II).
Authors of publication	Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8442 - 8454
a	18.1143 ± 0.0004 Å
b	18.1143 ± 0.0004 Å
c	63.6511 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	18087.5 ± 0.7 Å³
Cell temperature	250 ± 1 K
Ambient diffraction temperature	250 ± 1 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2832
Weighted residual factors for all reflections included in the refinement	0.3495
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340621.cif
122899	2014-09-06	cif/ Updating files of 4340618, 4340619, 4340620, 4340621, 4340622, 4340623 Original log message: Adding full bibliography for 4340618--4340623.cif.	4340621.cif
121066	2014-08-02	cif/ Adding structures of 4340621 via cif-deposit CGI script.	4340621.cif