Information card for entry 7047508

Structure parameters

• Formula: C44 H42 B2 N9 O2 Sc
• Calculated formula: C44 H42 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: 12.9337 ± 0.0007 Å
• b: 13.0637 ± 0.0005 Å
• c: 13.3321 ± 0.0007 Å
• α: 67.293 ± 0.002°
• β: 82.797 ± 0.003°
• γ: 75.727 ± 0.002°
• Cell volume: 2012.72 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No