Crystallography Open Database

Information card for entry 8105521

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Coordinates	8105521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl2 Cu N2 O2
Calculated formula	C16 H12 Cl2 Cu N2 O2
SMILES	[Cu]123Oc4c(Cl)cccc4C=[N]3CC[N]1=Cc1c(c(Cl)ccc1)O2
Title of publication	Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2 N,O))copper(II), C16H12Cl2CuN2O2
Authors of publication	Ju, Hongping; Li, Meihua; Chen, Zihao; Wu, Qiong; Chai, Yanling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	3 - 4
a	12.8449 ± 0.0005 Å
b	12.5266 ± 0.0006 Å
c	19.054 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3065.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
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	0.0633
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
276273 (current)	2022-06-27	cif/ Adding structures of 8105521 via cif-deposit CGI script.	8105521.cif