Information card for entry 2208274

Structure parameters

• Chemical name: Bis{[μ-N,N'-bis(2-hydroxybenzyl)-2-hydroxy-1,3 propandiaminato](acetato) (N,N'-dimethylformamide)nickel(II)}nickel(II)
• Formula: C50 H74 N8 Ni3 O14
• Calculated formula: C50 H74 N8 Ni3 O14
• SMILES: c12ccccc1C[NH]1CC(O)C[NH]3Cc4ccccc4[O]4[Ni]567([O]2[Ni]134([O]=C(O6)C)[O]=CN(C)C)[O]1c2ccccc2C[NH]2CC(O)C[NH]3Cc4ccccc4[O]5[Ni]123([O]=C(O7)C)[O]=CN(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Di-μ-acetato-bis[μ-2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl)propane-1,3-diamine]bis(<i>N</i>,<i>N</i>'-dimethylformamide)trinickel(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Authors of publication: Sarı, Musa; Atakol, Orhan; Svaboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m563 - m565
• a: 10.373 ± 0.003 Å
• b: 12.125 ± 0.001 Å
• c: 12.863 ± 0.001 Å
• α: 107.99 ± 0.01°
• β: 107.99 ± 0.01°
• γ: 98.18 ± 0.01°
• Cell volume: 1412.1 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No