Information card for entry 1504441

Structure parameters

• Formula: C28 H64 N3 O P2 S2 Si2 Y
• Calculated formula: C28 H64 N3 O P2 S2 Si2 Y
• SMILES: [Y]123(SP(=[N]1[C@H]1CCCC[C@@H]1[N]2=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.[Y]123(SP(=[N]1[C@@H]1CCCC[C@H]1[N]2=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: A Series of Bis(thiophosphinic amido)yttrium Initiators for Lactide Ring-Opening Polymerization
• Authors of publication: Hodgson, Linda M.; Platel, Rachel H.; White, Andrew J. P.; Williams, Charlotte K.
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 8603
• a: 18.0407 ± 0.0006 Å
• b: 10.65 ± 0.0004 Å
• c: 20.3838 ± 0.0008 Å
• α: 90°
• β: 100.558 ± 0.003°
• γ: 90°
• Cell volume: 3850.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No