Information card for entry 4313229

Structure parameters

• Formula: C59 H92 N9 Ni2 O17 Tb
• Calculated formula: C58.76 H84.04 N9 Ni2 O16.15 Tb
• 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: 13.0201 ± 0.0004 Å
• b: 14.145 ± 0.0006 Å
• c: 19.6583 ± 0.0016 Å
• α: 74.43 ± 0.002°
• β: 83.843 ± 0.002°
• γ: 66.666 ± 0.002°
• Cell volume: 3202.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No