Crystallography Open Database

Information card for entry 4339826

Preview

Coordinates	4339826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H39.5 Cl Fe2 N4.5 O14.5
Calculated formula	C12 H4 Fe2 O10
Title of publication	Mixed-valence iron(II, III) trimesates with open frameworks modulated by solvents.
Authors of publication	Xie, Linhua; Liu, Shuxia; Gao, Chaoying; Cao, Ruige; Cao, Jianfang; Sun, Chunyan; Su, Zhongmin
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7782 - 7788
a	26.6328 ± 0.0004 Å
b	26.6328 ± 0.0004 Å
c	26.6328 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18890.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	4339826.cif
117565	2014-06-15	cif/ Adding structures of 4339826, 4339827, 4339828 via cif-deposit CGI script.	4339826.cif