Crystallography Open Database

Information card for entry 4339828

Preview

Coordinates	4339828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl2 Fe2 N4 O12
Calculated formula	C30 H34 Cl2 Fe2 N4 O12
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	9.7827 ± 0.0004 Å
b	18.926 ± 0.0008 Å
c	9.8318 ± 0.0004 Å
α	90°
β	116.249 ± 0.001°
γ	90°
Cell volume	1632.62 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339828.cif
117565	2014-06-15	cif/ Adding structures of 4339826, 4339827, 4339828 via cif-deposit CGI script.	4339828.cif