Information card for entry 2220854

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}dimethanoltrinitratonickel(II) samarium(III) methanol disolvate
• Formula: C23 H36 N5 Ni O17 Sm
• Calculated formula: C23 H36 N5 Ni O17 Sm
• SMILES: c12c3cccc1C=[N]1CCC[N]4=Cc5cccc6c5[O]5[Ni]14([O]2[Sm]1245([O]3C)([O]6C)([O]=N(=O)O1)([O]=N(=O)O2)[O]=N(=O)O4)([OH]C)[OH]C.CO.CO
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dimethanoltrinitratonickel(II)samarium(III) methanol disolvate
• Authors of publication: Liu, Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m126
• a: 13.066 ± 0.003 Å
• b: 11.121 ± 0.002 Å
• c: 22.128 ± 0.004 Å
• α: 90°
• β: 90.6 ± 0.03°
• γ: 90°
• Cell volume: 3215.2 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes