Crystallography Open Database

Information card for entry 8107121

Preview

Coordinates	8107121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 Cu2 N8 O12
Calculated formula	C46 H48 Cu2 N8 O12
Title of publication	Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5 O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
Authors of publication	Qiang Li, Guo; Hong He, Jia; Yun Hui, Cai; Xu, Qiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1127 - 1129
a	9.5638 ± 0.0009 Å
b	20.2142 ± 0.0019 Å
c	12.0825 ± 0.0011 Å
α	90°
β	94.696 ± 0.001°
γ	90°
Cell volume	2328 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
282942 (current)	2023-05-02	cif/ Adding structures of 8107121 via cif-deposit CGI script.	8107121.cif