Information card for entry 2219394

Structure parameters

• Formula: C23 H36 La N5 Ni O17
• Calculated formula: C23 H36 La N5 Ni O17
• SMILES: c12c3cccc1C=[N]1CCC[N]4=Cc5cccc6c5[O]5[La]789([O]2[Ni]145([OH]C)[OH]C)([O]3C)([O]6C)([O]=N(=O)O8)([O]=N(=O)O9)[O]N(=O)O7.CO.CO
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dimethanoltrinitratonickel(II)lanthanum(III) methanol disolvate
• Authors of publication: Liu, Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1207
• a: 13.123 ± 0.004 Å
• b: 11.141 ± 0.003 Å
• c: 22.245 ± 0.008 Å
• α: 90°
• β: 90.911 ± 0.013°
• γ: 90°
• Cell volume: 3251.9 ± 1.8 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: 0.0455
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes