Crystallography Open Database

Information card for entry 8105816

Preview

Coordinates	8105816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cl2 Cu N4 O6
Calculated formula	C38 H36 Cl2 Cu N4 O6
SMILES	[Cu]12([O](c3cccc4ccc[n]1c34)CC(=O)Nc1ccccc1)([O](c1cccc3ccc[n]2c13)CC(=O)Nc1ccccc1)(Cl)Cl.O=C(OCC)C
Title of publication	Crystal structure of dichlorido-bis(N-benzyl-2-(quinolin-8-yloxy)acetamide-κ2 N,O)copper(II) — ethyl acetate (1/1), C38H36N4O6Cl2Cu
Authors of publication	Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	675 - 676
a	10.749 ± 0.005 Å
b	11.074 ± 0.005 Å
c	15.951 ± 0.007 Å
α	80.471 ± 0.008°
β	80.987 ± 0.008°
γ	77.283 ± 0.008°
Cell volume	1812.3 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
278030 (current)	2022-09-21	cif/ Adding structures of 8105816 via cif-deposit CGI script.	8105816.cif