Information card for entry 7009525

Structure parameters

• Chemical name: tris(nitrato-O,O')bis(triphenylphosphineoxide)scandium(III)
• Formula: C36 H30 N3 O11 P2 Sc
• Calculated formula: C36 H30 N3 O11 P2 Sc
• SMILES: [Sc]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=N(=O)O1)([O]=N(=O)O2)[O]=N(=O)O3
• Title of publication: Syntheses, structures and multinuclear NMR (45Sc, 89Y, 31P) studies of Ph3PO, Ph2MePO and Me3PO complexes of scandium and yttrium nitrates
• Authors of publication: Deakin, Lucy; Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2439
• a: 10.249 ± 0.005 Å
• b: 10.628 ± 0.004 Å
• c: 17.289 ± 0.005 Å
• α: 90°
• β: 100.76 ± 0.03°
• γ: 90°
• Cell volume: 1850.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No