Information card for entry 7009531

Structure parameters

• Chemical name: tris(nitrato-O,O')tris(triphenylphosphineoxide)yttrium(III)
• Formula: C54 H45 N3 O12 P3 Y
• Calculated formula: C54 H40 N3 O12 P3 Y
• SMILES: [Y]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=N(=O)O1)([O]=N(=O)O2)ON(=O)=[O]3
• 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: 11.17 ± 0.006 Å
• b: 11.411 ± 0.004 Å
• c: 41.504 ± 0.006 Å
• α: 90°
• β: 93.48 ± 0.03°
• γ: 90°
• Cell volume: 5280 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections: 2.695
• Goodness-of-fit parameter for all reflections included in the refinement: 2.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No