Crystallography Open Database

Information card for entry 7052511

Preview

Coordinates	7052511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Co N O7
Calculated formula	C7 H5 Co N O7
Title of publication	Design of metal-organic NLO materials: complexes derived from pyridine-3,4-dicarboxylate
Authors of publication	Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lai; Wang, Rui-Hu; Hong, Mao-Chun
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	12
Pages of publication	1590
a	7.1111 ± 0.0012 Å
b	7.8561 ± 0.0013 Å
c	9.031 ± 0.0016 Å
α	75.614 ± 0.003°
β	68.57 ± 0.004°
γ	76.107 ± 0.004°
Cell volume	448.63 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2229
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
180079 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25.	7052511.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052511.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052511.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7052511.cif