Information card for entry 4349281

Structure parameters

• Formula: C22 H35 I3 N P4 Y
• Calculated formula: C22 H35 I3 N P4 Y
• SMILES: I[Y]12(I)(I)([P](C)(C)c3ccccc3[P]1(C)C)([P](C)(C)c1ccccc1[P]2(C)C)[N]#CC
• 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: 17.453 ± 0.006 Å
• b: 10.636 ± 0.003 Å
• c: 17.515 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3251.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No