Information card for entry 4316626

Structure parameters

• Formula: C18 H33 Cl N6 Ni3 O11
• Calculated formula: C18 H33 Cl N6 Ni3 O11
• SMILES: [Ni]123O[N]4[Ni]5(O[N]6[Ni]([N](=C(C=6C)C)CCO)(O[N]2=C(C(=[N]3CCO)C)C)[O]15)[N](=C(C=4C)C)CCO.Cl(=O)(=O)(=O)[O-]
• 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: 9.5896 ± 0.0019 Å
• b: 20.871 ± 0.004 Å
• c: 13.297 ± 0.003 Å
• α: 90°
• β: 93.671 ± 0.003°
• γ: 90°
• Cell volume: 2655.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No