Crystallography Open Database

Information card for entry 2200753

2200752 << 2200753 >> 2200754

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Structure parameters

Chemical name	Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]- copper(II)}
Formula	C40 H34 Cl6 Cu2 N4 O2
Calculated formula	C40 H34 Cl6 Cu2 N4 O2
SMILES	O[N]1=C([C@@H](c2ccccc2)[NH]([Cu]21([Cl][Cu]1([NH]([C@H](C(c3ccccc3)=[N]1O)c1ccccc1)c1ccc(cc1)Cl)([Cl]2)Cl)Cl)c1ccc(cc1)Cl)c1ccccc1
Title of publication	Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]copper(II)}
Authors of publication	Puschmann, Horst; Batsanov, Andrei S.; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	m551 - m552
a	20.642 ± 0.0006 Å
b	11.5573 ± 0.0004 Å
c	17.7307 ± 0.0005 Å
α	90°
β	104.666 ± 0.001°
γ	90°
Cell volume	4092.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.023
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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