Information card for entry 7203459

Structure parameters

• Formula: C26 H32 Cl2 N4 Ni O2
• Calculated formula: C26 H32 Cl2 N4 Ni O2
• SMILES: c1(ccc(cc1)Cc1ccc(N)cc1)[NH2][Ni](Cl)([OH2])(Cl)([NH2]c1ccc(cc1)Cc1ccc(N)cc1)[OH2]
• 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: 5.66 ± 0.001 Å
• b: 9.323 ± 0.003 Å
• c: 12.687 ± 0.004 Å
• α: 103.6 ± 0.02°
• β: 93.39 ± 0.02°
• γ: 102.01 ± 0.02°
• Cell volume: 632.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections: 0.166
• Weighted residual factors for significantly intense reflections: 0.135
• Goodness-of-fit parameter for all reflections: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No