Crystallography Open Database

Information card for entry 2241904

2241903 << 2241904 >> 2241905

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Structure parameters

Chemical name	Di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate
Formula	C24 H34 Cl4 Cu2 N14 O8
Calculated formula	C20 H28 Cl4 Cu2 N12 O8
SMILES	[Cu]1(Cl)([Cl][Cu](Cl)([Cl]1)([n]1cc(N(=O)=O)n(c1C)C)[n]1cc(N(=O)=O)n(c1C)C)([n]1cc(N(=O)=O)n(c1C)C)[n]1cc(N(=O)=O)n(c1C)C
Title of publication	Crystal structure of di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate
Authors of publication	Quinlivan, Patrick J.; Upmacis, Rita K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	11
Pages of publication	1633 - 1636
a	13.9545 ± 0.0008 Å
b	6.7004 ± 0.0004 Å
c	19.5031 ± 0.0011 Å
α	90°
β	96.424 ± 0.001°
γ	90°
Cell volume	1812.1 ± 0.18 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
187571 (current)	2016-10-26	cif/ hkl/ Adding structures of 2241904 via cif-deposit CGI script.	2241904.cif 2241904.hkl