Information card for entry 4327484

Structure parameters

• Formula: C61 H66 B Cl3 N12 Na O Y
• Calculated formula: C61 H65 B Cl3 N12 Na O Y
• SMILES: [Y]12(Cl)(Cl)(Cl)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C.[Na]123([n]5c6c(ccc5C)ccc5c6[n]1c(cc5)C)([n]1c5c(ccc1C)ccc1c5[n]2c(cc1)C)[n]1c(ccc2ccc5c(c12)[n]3c(cc5)C)C.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: 11.2096 ± 0.0016 Å
• b: 15.6214 ± 0.0018 Å
• c: 17.8963 ± 0.0018 Å
• α: 93.024 ± 0.012°
• β: 97.632 ± 0.011°
• γ: 95.165 ± 0.012°
• Cell volume: 3086.8 ± 0.7 ų
• Cell temperature: 268 ± 2 K
• Ambient diffraction temperature: 268 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2752
• Residual factor for significantly intense reflections: 0.1391
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No