Crystallography Open Database

Information card for entry 8104578

Preview

Coordinates	8104578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Cu N2 O4
Calculated formula	C24 H16 Cu N2 O4
SMILES	[Cu]12(OC(=O)c3[n]1c(ccc3)c1ccccc1)OC(=O)c1[n]2c(ccc1)c1ccccc1
Title of publication	The crystal structure of bis(6-phenylpyridine-2-carboxylato-k2 N,O)copper(II), C24H16N2O4Cu
Authors of publication	Wang Li-Hua; Liang Lei; Li Xiang-Tao; Cao Shu-Hua; Tai Xi-Shi
Journal of publication	Zeitschrift fur Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Pages of publication	1251 - 1253
a	11.2454 ± 0.0006 Å
b	13.596 ± 0.0007 Å
c	14.0076 ± 0.0008 Å
α	79.019 ± 0.005°
β	71.729 ± 0.005°
γ	76.126 ± 0.005°
Cell volume	1958.8 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0582
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
273062 (current)	2022-02-21	cif/ Adding structures of 8104578 via cif-deposit CGI script.	8104578.cif