Crystallography Open Database

Information card for entry 7241633

Preview

Coordinates	7241633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 Cu N O5
Calculated formula	C10 H11 Cu N O5
SMILES	[Cu]12(Oc3cc(OC)ccc3C=[N]2CC(=O)O1)[OH2]
Title of publication	Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology
Authors of publication	Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	70
Pages of publication	42964 - 42970
a	7.4851 ± 0.0004 Å
b	13.4109 ± 0.0007 Å
c	21.5161 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2159.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
259349 (current)	2020-11-30	cif/ Adding structures of 7241631, 7241632, 7241633 via cif-deposit CGI script.	7241633.cif