Crystallography Open Database

Information card for entry 4311305

Preview

Coordinates	4311305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Fe N10 O2.5
Calculated formula	C18 H21 Fe N10 O2.49
Title of publication	Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Authors of publication	Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4154 - 4171
a	20.175 ± 0.001 Å
b	20.175 ± 0.001 Å
c	20.175 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8211.8 ± 0.7 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	0.813
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311305.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311305.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311305.cif
2800	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311305 via cif-deposit CGI script.	4311305.cif