Information card for entry 7204003

Structure parameters

• Formula: C20 H28 Cl2 N6 Ni O9
• Calculated formula: C20 H28 Cl2 N6 Ni O9
• Title of publication: Ni(II) and Co(II) complexes with a phenanthroline-containing macrocycle. Thermodynamic, structural and kinetic considerations
• Authors of publication: Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Paoletti, Piero; Valtancoli, Barbara; Secco, Fernando; Rosaria Tinè, Maria; Venturini, Marcella
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2000
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 4864
• a: 15.043 ± 0.004 Å
• b: 15.37 ± 0.003 Å
• c: 21.872 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5057 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No