Information card for entry 7047509

Structure parameters

• Formula: C56 H48 B3 F15 N9 O3 Sc Si2
• Calculated formula: C56 H48 B3 F15 N9 O3 Sc Si2
• 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: 36.353 ± 0.004 Å
• b: 12.6079 ± 0.0014 Å
• c: 30.349 ± 0.003 Å
• α: 90°
• β: 116.768 ± 0.003°
• γ: 90°
• Cell volume: 12419 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1482
• 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