Crystallography Open Database

Information card for entry 2242950

Preview

Coordinates	2242950.cif
Structure factors	2242950.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>N</i>,<i>N</i>'-Ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazine-1-ylidene]pentane-2,4-dione (1/1)
Formula	C35 H35 Cu N11 O10
Calculated formula	C35 H35 Cu N11 O10
SMILES	[Cu]123N(N=C(C(=[N]2CC[N]3=C(C)C(=NN1c1cc(N(=O)=O)ccc1)C(=O)C)C)C(=O)C)c1cc(N(=O)=O)ccc1.O=C(C)C(=N\Nc1cc(N(=O)=O)ccc1)/C(=O)C
Title of publication	Crystal structure of (<i>N</i>,<i>N</i>'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)
Authors of publication	Marten, Jan; Seichter, Wilhelm; Weber, Edwin
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	6
Pages of publication	834 - 837
a	15.582 ± 0.0005 Å
b	20.0517 ± 0.0007 Å
c	23.3082 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7282.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0875
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
215398 (current)	2019-05-22	cif/ hkl/ Adding structures of 2242950 via cif-deposit CGI script.	2242950.cif 2242950.hkl