Information card for entry 4349280

Structure parameters

• Formula: C20 H32 I3 P4 Sc
• Calculated formula: C20 H32 I3 P4 Sc
• SMILES: C[P]1(C)c2ccccc2[P](C)(C)[Sc]21(I)(I)(I)[P](C)(C)c1ccccc1[P]2(C)C
• Title of publication: Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.
• Authors of publication: Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12890 - 12896
• a: 8.882 ± 0.001 Å
• b: 8.882 ± 0.001 Å
• c: 35.469 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No