Information card for entry 2217957

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} dimethanoltrinitratonickel(II)praseodymium(III) methanol disolvate
• Formula: C23 H36 N5 Ni O17 Pr
• Calculated formula: C23 H36 N5 Ni O17 Pr
• SMILES: [Pr]1234567([Ni]89%10([O]1c1c([O]2C)cccc1C=[N]9CCC[N]%10=Cc1cccc(c1[O]38)[O]4C)([OH]C)[OH]C)(ON(=O)=[O]5)(ON(=O)=[O]6)[O]=N(=O)O7.OC.OC
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dimethanoltrinitratonickel(II)praseodymium(III) methanol disolvate
• Authors of publication: Liu, Fei; Zhang, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m589
• a: 13.101 ± 0.003 Å
• b: 11.128 ± 0.002 Å
• c: 22.213 ± 0.004 Å
• α: 90°
• β: 90.73 ± 0.03°
• γ: 90°
• Cell volume: 3238.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes