Information card for entry 4327486

Structure parameters

• Formula: C48 H68 B2 La N14 O2
• Calculated formula: C48 H68 B2 La N14 O2
• SMILES: [La]12345([n]6ccccc6c6[n]1cccc6)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.O1CCCC1.O1CCCC1
• Title of publication: Coordination of 2,2'-Bipyridyl and 1,10-Phenanthroline to Yttrium and Lanthanum Complexes Based on a Scorpionate Ligand
• Authors of publication: Dmitrii Roitershtein; Ângela Domingos; Laura C. J. Pereira; José R. Ascenso; Noémia Marques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7666 - 7673
• a: 14.455 ± 0.004 Å
• b: 20.877 ± 0.004 Å
• c: 17.339 ± 0.004 Å
• α: 90°
• β: 95.73 ± 0.02°
• γ: 90°
• Cell volume: 5206 ± 2 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 6
• 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: 0.1942
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No