Crystallography Open Database

Information card for entry 7018418

Preview

Coordinates	7018418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 Cu N5 O3
Calculated formula	C8 H7 Cu N5 O3
Title of publication	Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.
Authors of publication	Wriedt, Mario; Zhou, Hong-Cai Joe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4207 - 4216
a	7.5502 ± 0.0019 Å
b	12.884 ± 0.003 Å
c	10.036 ± 0.003 Å
α	90°
β	98.038 ± 0.003°
γ	90°
Cell volume	966.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0344
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179888 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/84.	7018418.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018418.cif
52098	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018415, 7018416, 7018417, 7018418, 7018419 via cif-deposit CGI script.	7018418.cif