Crystallography Open Database

Information card for entry 8107662

Preview

Coordinates	8107662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu3 N8 O10
Calculated formula	C20 H22 Cu3 N8 O10
Title of publication	Crystal structure of polybis(μ 4-3,5-dicarboxylatopyrazol-1-yl)-bis(N,N-dimethylformamide)tri-copper(II)–acetonitrile (1/2), C20H22Cu3N8O10
Authors of publication	Wang, Yan-Qing; Yan, Wen-Qing; Nie, Li-Xue; Luan, Ping-Ping; Li, Chao-Qun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1069 - 1070
a	12.0766 ± 0.0011 Å
b	16.2778 ± 0.0014 Å
c	14.7605 ± 0.0013 Å
α	90°
β	97.858 ± 0.001°
γ	90°
Cell volume	2874.4 ± 0.4 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0617
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
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
287735 (current)	2023-11-22	cif/ Adding structures of 8107662 via cif-deposit CGI script.	8107662.cif