Information card for entry 7009528

Structure parameters

• Chemical name: bis(nitrato-O,O')tetrakis(diphenylmethylphosphineoxide)scandium(III) nitrate dichloromethane solvate
• Formula: C53.3 H54.6 Cl2.6 N3 O13 P4 Sc
• Calculated formula: C53.3 H40 Cl2.6 N3 O13 P4 Sc
• 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: 13.712 ± 0.005 Å
• b: 23.412 ± 0.004 Å
• c: 18.65 ± 0.004 Å
• α: 90°
• β: 98.4 ± 0.02°
• γ: 90°
• Cell volume: 5923 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2183
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.3322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No