Information card for entry 4302745

Structure parameters

• Formula: C66 H106 Cl4 N38 Ni9 O39
• Calculated formula: C66 H104 Cl4 N38 Ni9 O39
• Title of publication: Polynuclear Nickel(II) Complexes: A Magnetostructural Study of NiII4, NiII6, and NiII9 Species with Oxime Ligands
• Authors of publication: Biplab Biswas; Ulrich Pieper; Thomas Weyhermüller; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6781 - 6793
• a: 16.7841 ± 0.0006 Å
• b: 16.9192 ± 0.0006 Å
• c: 23.7893 ± 0.0009 Å
• α: 106.789 ± 0.003°
• β: 91.733 ± 0.003°
• γ: 110.043 ± 0.003°
• Cell volume: 6012.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No