Information card for entry 2230208

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitrato samarium(III)zinc(II) methanol disolvate
• Formula: C23 H36 N5 O17 Sm Zn
• Calculated formula: C23 H36 N5 O17 Sm Zn
• SMILES: [Sm]123456([O](c7c8[O]2[Zn]29([O]3c3c([O]1C)cccc3C=[N]2CCC[N]9=Cc8ccc7)([OH]C)[OH]C)C)(ON(=O)=[O]4)(ON(=[O]5)=O)ON(=[O]6)=O.OC.CO
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitratosamarium(III)zinc(II) methanol disolvate
• Authors of publication: Liu, Fei; Zhang, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m525
• a: 13.105 ± 0.0008 Å
• b: 11.119 ± 0.0007 Å
• c: 22.324 ± 0.0013 Å
• α: 90°
• β: 90.999 ± 0.001°
• γ: 90°
• Cell volume: 3252.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.459
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes