Information card for entry 2008805

Structure parameters

• Chemical name: {4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3- propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate
• Formula: C28 H38 Cl2 Mn N4 O13
• Calculated formula: C28 H38 Cl2 Mn N4 O13
• SMILES: [Mn]123Oc4c(cc(cc4C=[N]3CC[N]2=Cc2cc(cc(c2O1)C[NH+]1CCOCC1)C)C)C[NH+]1CCOCC1.O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: {4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(II) diperchlorate monohydrate
• Authors of publication: R. Thirumurugan; S. Shanmuga Sundara Raj; 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: 8
• Pages of publication: 1218 - 1220
• a: 8.9162 ± 0.0001 Å
• b: 9.6764 ± 0.0001 Å
• c: 20.0766 ± 0.0001 Å
• α: 78.536 ± 0.001°
• β: 81.52 ± 0.001°
• γ: 83.922 ± 0.001°
• Cell volume: 1673.78 ± 0.03 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: 0.073
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No