Information card for entry 7017833

Structure parameters

• Formula: C36 H65 N2 O P2 Sc Si
• Calculated formula: C36 H65 N2 O P2 Sc Si
• SMILES: [Sc](N(c1cc(C)cc(c1)C)P(C(C)C)C(C)C)(N(c1cc(cc(c1)C)C)P(C(C)C)C(C)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Synthesis and characterization of organo-scandium and yttrium complexes stabilized by phosphinoamide ligands.
• Authors of publication: Halcovitch, Nathan R.; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1524 - 1528
• a: 11.552 ± 0.0008 Å
• b: 19.465 ± 0.0015 Å
• c: 18.341 ± 0.0011 Å
• α: 90°
• β: 98.253 ± 0.003°
• γ: 90°
• Cell volume: 4081.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No