Information card for entry 4313230

Structure parameters

• Formula: C61 H94 Er N9 Ni2 O16
• Calculated formula: C60.106 H70 Er N8.6 Ni2 O14.05
• 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: 13.1044 ± 0.0012 Å
• b: 14.3002 ± 0.0015 Å
• c: 19.6105 ± 0.001 Å
• α: 75.027 ± 0.005°
• β: 83.182 ± 0.003°
• γ: 64.924 ± 0.001°
• Cell volume: 3215.4 ± 0.5 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: 0.0488
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No