Information card for entry 7047506

Structure parameters

• Formula: C33 H32 B2 N9 O2 Sc
• Calculated formula: C33 H32 B2 N9 O2 Sc
• Title of publication: Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO₂ and N₂O.
• Authors of publication: Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13680 - 13688
• a: 13.86 ± 0.004 Å
• b: 14.896 ± 0.005 Å
• c: 15.506 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.3 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No