Crystallography Open Database

Information card for entry 4509371

Preview

Coordinates	4509371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 Fe N3 O7
Calculated formula	C10 H11 Fe N3 O7
Title of publication	Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties
Authors of publication	Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3423
a	7.785 ± 0.0016 Å
b	10.238 ± 0.002 Å
c	15.851 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1263.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179629 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/93.	4509371.cif
97241	2014-01-29	cif/ Adding structures of 4509371, 4509372, 4509373, 4509374, 4509375, 4509376 via cif-deposit CGI script.	4509371.cif