Crystallography Open Database

Information card for entry 1552859

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Structure parameters

Chemical name	Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]
Formula	C36 H38 Cl4 Cu2 N6 O2
Calculated formula	C36 H38 Cl4 Cu2 N6 O2
SMILES	c1c(cccc1)c1cc([nH][n]1[Cu]1([Cl][Cu]([n]2c(c3ccccc3)cc([nH]2)c2ccccc2)([O]=CN(C)C)(Cl)[Cl]1)([O]=CN(C)C)Cl)c1ccccc1
Title of publication	Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]
Authors of publication	Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M.
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	8
Pages of publication	x181186
a	12.004 ± 0.001 Å
b	9.7942 ± 0.0004 Å
c	17.4116 ± 0.0008 Å
α	90°
β	107.633 ± 0.003°
γ	90°
Cell volume	1950.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1066
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	Yes

Version history

Revision	Date	Message	Files
227673 (current)	2019-11-12	cif/ hkl/ Adding structures of 1552859 via cif-deposit CGI script.	1552859.cif 1552859.hkl