Information card for entry 4335751

Structure parameters

• Formula: C36 H46 Li N O2 P2 Si
• Calculated formula: C36 H46 Li N O2 P2 Si
• SMILES: [Li]1([N](=P(C1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes
• Authors of publication: Wing-Por Leung; Wang-Kin Chiu; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9479 - 9486
• a: 10.7296 ± 0.0019 Å
• b: 10.88 ± 0.002 Å
• c: 16.27 ± 0.003 Å
• α: 95.857 ± 0.004°
• β: 100.286 ± 0.003°
• γ: 96.741 ± 0.003°
• Cell volume: 1841.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2043
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.3062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No