Information card for entry 4324978

Structure parameters

• Formula: C78 H117 N18 Sm3
• Calculated formula: C78 H117 N18 Sm3
• Title of publication: Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]
• Authors of publication: Matthew R. MacDonald; Joseph W. Ziller; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4092 - 4106
• a: 27.1898 ± 0.0015 Å
• b: 27.1898 ± 0.0015 Å
• c: 19.8371 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12700.5 ± 1.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No