Information card for entry 4316629

Structure parameters

• Formula: C40 H62 Cl2 N12 Ni4 O16
• Calculated formula: C40 H62 Cl2 N12 Ni4 O16
• 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: 17.0437 ± 0.0004 Å
• b: 17.0437 ± 0.0004 Å
• c: 18.9961 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5518.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No