Crystallography Open Database

Information card for entry 8103368

Preview

Coordinates	8103368.cif

Structure parameters

Formula	C7 H7 Co N O6
Calculated formula	C7 H7 Co N O6
Title of publication	Crystal structure of diaqua(m3-pyridine-3,4-dicarboxylato-O,O'':O':N)cobalt(II), Co(C7H3NO4)(H2O)2
Authors of publication	Yu Feng; Guo-Fu Wu; Tian-Tian Ren; Cai-Li Huang; Meng-Jie Huang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	209
a	11.043 ± 0.009 Å
b	10.259 ± 0.008 Å
c	7.684 ± 0.006 Å
α	90°
β	102.617 ± 0.009°
γ	90°
Cell volume	849.5 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0296
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103368.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103368.cif
62129	2012-07-07	cif/ Adding structures of 8103368 via cif-deposit CGI script.	8103368.cif