Information card for entry 4313227

Structure parameters

• Common name: 99061
• Formula: C59.5 H91 Lu N9 Ni2 O16
• Calculated formula: C59.5 H91 Lu N9 Ni2 O16
• Title of publication: dlf Complexes with Uniform Coordination Geometry: Structural and Magnetic Properties of an LnNi2 Core Supported by a Heptadentate Amine Phenol Ligand
• Authors of publication: Simon R. Bayly; Zhiquiang Xu; Brian O. Patrick; Steven J. Rettig; Maren Pink; Robert C. Thompson; Chris Orvig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1576 - 1583
• a: 13.1652 ± 0.0001 Å
• b: 14.3387 ± 0.0001 Å
• c: 19.7309 ± 0.0002 Å
• α: 74.813 ± 0.001°
• β: 83.118 ± 0.001°
• γ: 65.074 ± 0.001°
• Cell volume: 3259.55 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No