Crystallography Open Database

Information card for entry 4340618

Preview

Coordinates	4340618.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	17.9603 ± 0.0004 Å
b	17.9603 ± 0.0004 Å
c	62.8136 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	17547.3 ± 0.7 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 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	0.0879
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71069 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.	4340618.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.	4340618.cif
121063	2014-08-02	cif/ Adding structures of 4340618 via cif-deposit CGI script.	4340618.cif