Crystallography Open Database

Information card for entry 4311299

Preview

Coordinates	4311299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22.5 B0.5 F2 Fe N10
Calculated formula	C18 H22.5 B0.5 F1.5 Fe N10
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	11.855 ± 0.004 Å
b	11.855 ± 0.004 Å
c	9.479 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1153.7 ± 0.8 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4311299.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311299.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311299.cif
2794	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311299 via cif-deposit CGI script.	4311299.cif