Information card for entry 2008806

Structure parameters

• Chemical name: N,N' - Bis[2-hydroxy-3-morpholinomethyl)-5-methyl]benzyl ethylenediamino copper(II) perchlorate. dihydrate
• Formula: C28 H45 Cl Cu N4 O10
• Calculated formula: C28 H45 Cl Cu N4 O10
• SMILES: [Cu@@]123Oc4c(CN5CCOCC5)cc(C)cc4C[NH]2CC[NH]3Cc2c(O1)c(cc(C)c2)C[NH+]1CCOCC1.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: {4,4'-Dimethyl-6'-morpholiniomethyl-6-mor-pholinomethyl-2,2'[1,2-ethanediylbis(iminomethylene)]diphenolato}copper(II) perchlorate dihydrate
• Authors of publication: Shanmuga Sundara Raj, S.; Velmurugan, D.; Gunasekaran, K.; Fun, Hoong-Kun; Manonmani, J.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1222 - 1224
• a: 10.546 ± 0.001 Å
• b: 14.229 ± 0.001 Å
• c: 10.807 ± 0.001 Å
• α: 90°
• β: 99.75 ± 0.01°
• γ: 90°
• Cell volume: 1598.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes