Information card for entry 4316628

Structure parameters

• Formula: C52 H66 Cl2 N16 Ni4 O20
• Calculated formula: C52 H66 Cl2 N16 Ni4 O20
• Title of publication: Tri- and Tetranuclear Nickel(II) Inverse Metallacrown Complexes Involving Oximato Oxygen Linkers: Role of the Guest Anion (Oxo versus Alkoxo) in Controlling the Size of the Ring Topology
• Authors of publication: Anandalok Audhya; Manoranjan Maity; Kisholoy Bhattacharya; Rodolphe Clérac; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9026 - 9035
• a: 17.5819 ± 0.0002 Å
• b: 17.5819 ± 0.0002 Å
• c: 46.2392 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14293.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No