Information card for entry 7203461

Structure parameters

• Formula: C26 H32 N6 Ni O8
• Calculated formula: C26 H32 N6 Ni O8
• SMILES: c1(ccc(cc1)Cc1ccc(N)cc1)[NH2][Ni]([OH2])(ON(=O)=O)([NH2]c1ccc(cc1)Cc1ccc(N)cc1)([OH2])ON(=O)=O
• Title of publication: New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 696
• a: 5.837 ± 0.003 Å
• b: 9.424 ± 0.005 Å
• c: 13.329 ± 0.005 Å
• α: 105.58 ± 0.04°
• β: 98.08 ± 0.04°
• γ: 105.89 ± 0.04°
• Cell volume: 660.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1012
• Goodness-of-fit parameter for all reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No