Crystallography Open Database

Information card for entry 4107485

Preview

Coordinates	4107485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Fe N6 O4 S2
Calculated formula	C26 H20 Fe N6 O4 S2
Title of publication	Single-Crystal to Single-Crystal Structural Transformation and Photomagnetic Properties of a Porous Iron(II) Spin-Crossover Framework
Authors of publication	Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Peter D. Southon; John D. Cashion; Jean-François Létard; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2869 - 2876
a	14.796 ± 0.002 Å
b	14.796 ± 0.002 Å
c	17.399 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3809 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	375 ± 2 K
Number of distinct elements	6
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2118
Weighted residual factors for all reflections included in the refinement	0.2439
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
178820 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/74.	4107485.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107485.cif
55169	2012-05-03	cif/ Adding structures of 4107485 via cif-deposit CGI script.	4107485.cif