Information card for entry 2242950

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 ų
• 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 Fobs: Yes