Crystallography Open Database

Information card for entry 4340619

Preview

Coordinates	4340619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Cl2 Fe N10 O8
Calculated formula	C48 H66 Cl2 Fe N10 O8
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	15.76 ± 0.002 Å
b	13.6383 ± 0.0012 Å
c	24.499 ± 0.003 Å
α	90°
β	103.348 ± 0.013°
γ	90°
Cell volume	5123.6 ± 1 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1821
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	4340619.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.	4340619.cif
121064	2014-08-02	cif/ Adding structures of 4340619 via cif-deposit CGI script.	4340619.cif