Information card for entry 4327551

Structure parameters

• Formula: C51 H54.5 N11.5 Ni5 O16
• Calculated formula: C51.2 H43 N11.7 Ni5 O15.85
• Title of publication: Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns
• Authors of publication: George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1562 - 1570
• a: 14.056 ± 0.003 Å
• b: 15.306 ± 0.003 Å
• c: 15.806 ± 0.004 Å
• α: 67.55 ± 0.02°
• β: 83.82 ± 0.02°
• γ: 69.58 ± 0.02°
• Cell volume: 2944 ± 1.3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.1527
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No