Information card for entry 4327482

Structure parameters

• Formula: C28 H32 B Cl4 N8 Y
• Calculated formula: C28 H32 B Cl4 N8 Y
• SMILES: [Y]123(Cl)(Cl)([n]4cccc5c4c4[n]1cccc4cc5)[n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.ClCCl
• 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: 10.3735 ± 0.0008 Å
• b: 18.5836 ± 0.001 Å
• c: 16.713 ± 0.0009 Å
• α: 90°
• β: 95.248 ± 0.006°
• γ: 90°
• Cell volume: 3208.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1953
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No