Crystallography Open Database

Information card for entry 4503325

Preview

Coordinates	4503325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H4 Mn N2 O4
Calculated formula	C9 H4 Mn N2 O4
Title of publication	The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)
Authors of publication	Yao, Yali; Che, Yunxia; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2299
a	10.317 ± 0.002 Å
b	5.9699 ± 0.0012 Å
c	16.165 ± 0.005 Å
α	90°
β	123.64 ± 0.02°
γ	90°
Cell volume	828.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
179564 (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 4/50/33.	4503325.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503325.cif
41488	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503325 via cif-deposit CGI script.	4503325.cif