Information card for entry 4324982

Structure parameters

• Formula: C70 H70 B O2 Y
• Calculated formula: C70 H70 B O2 Y
• SMILES: [Y]12345678([O]=C(c9ccccc9)c9ccccc9)([O]=C(c9ccccc9)c9ccccc9)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.9624 ± 0.0005 Å
• b: 14.7189 ± 0.0007 Å
• c: 34.3027 ± 0.0017 Å
• α: 90°
• β: 92.5507 ± 0.0007°
• γ: 90°
• Cell volume: 5529.4 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No