Information card for entry 2008630

Structure parameters

• Chemical name: {4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2- ethanediylbis(nitrilomethylidene-N)]diphenolato-O,O'}copper(II) diperchlorate monohydrate
• Formula: C28 H40 Cl2 Cu N4 O13
• Calculated formula: C28 H40 Cl2 Cu N4 O13
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]2CC[N]3=Cc2cc(cc(c2O1)C[NH+]1CCOCC1)C)C)C[NH+]1CCOCC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: {4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate
• Authors of publication: S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 894 - 896
• a: 8.9654 ± 0.0003 Å
• b: 9.6447 ± 0.0003 Å
• c: 20.0666 ± 0.0005 Å
• α: 78.475 ± 0.001°
• β: 81.518 ± 0.001°
• γ: 83.786 ± 0.001°
• Cell volume: 1675.99 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No