Crystallography Open Database

Information card for entry 7055857

Preview

Coordinates	7055857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cu2 N4 O8
Calculated formula	C10 H16 Cu2 N4 O8
SMILES	Cc1cc2C(=O)O[Cu]3(n2[n]1[Cu]1(n2c(cc(C)[n]32)C(=O)O1)([OH2])[OH2])([OH2])[OH2]
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	12.4984 ± 0.0011 Å
b	7.2846 ± 0.0011 Å
c	17.4974 ± 0.0019 Å
α	90°
β	102.95 ± 0.003°
γ	90°
Cell volume	1552.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
190235 (current)	2017-01-09	cif/ Updating files of 7055856, 7055857, 7055858, 7055859 Original log message: Adding full bibliography for 7055856--7055859.cif.	7055857.cif
187780	2016-11-03	cif/ Adding structures of 7055856, 7055857, 7055858, 7055859 via cif-deposit CGI script.	7055857.cif