Crystallography Open Database

Information card for entry 7055858

Preview

Coordinates	7055858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu2 N6 O11
Calculated formula	C20 H20 Cu2 N6 O11
Title of publication	Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes
Authors of publication	Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	12
Pages of publication	10504
a	7.0667 ± 0.0015 Å
b	9.232 ± 0.002 Å
c	11.548 ± 0.003 Å
α	95.15 ± 0.004°
β	95.809 ± 0.004°
γ	105.873 ± 0.004°
Cell volume	715.5 ± 0.3 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	0.0696
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190235 (current)	2017-01-09	cif/ Updating files of 7055856, 7055857, 7055858, 7055859 Original log message: Adding full bibliography for 7055856--7055859.cif.	7055858.cif
187780	2016-11-03	cif/ Adding structures of 7055856, 7055857, 7055858, 7055859 via cif-deposit CGI script.	7055858.cif