Information card for entry 4315598

Structure parameters

• Formula: C21 H38 Cl N6 Ni3 O8
• Calculated formula: C21 H38 Cl N6 Ni3 O8
• Title of publication: Building Metallacrown Topology around a Discrete [M3(μ3-O)] (M = Ni(II) and Pd(II)) Core Using Oximato Oxygen Linkers: Synthesis, Structures, and Spectroscopic Characterization of a New Family of Compounds with an Inverse-9-MC-3 Motif
• Authors of publication: Anandalok Audhya; Kisholoy Bhattacharya; Manoranjan Maity; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5009 - 5015
• a: 10.1919 ± 0.0012 Å
• b: 12.6867 ± 0.0015 Å
• c: 12.8474 ± 0.0016 Å
• α: 107.846 ± 0.003°
• β: 90.38 ± 0.003°
• γ: 107.024 ± 0.003°
• Cell volume: 1503.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No