Information card for entry 4077556

Structure parameters

• Formula: C29 H52 N2 Na O1.5 P Si2
• Calculated formula: C29 H52 N2 Na O1.504 P Si2
• SMILES: P12(=C([Si](C)(C)C)[Si](C)(C)C)c3ccccc3C[N]([Na]31([N](C)(C)Cc1c2cccc1)[O](C)CC[O]3C)(C)C
• Title of publication: Synthesis, Structures, and Solution Dynamics of Functionalized Phosphinomethanide Complexes of the Alkali Metals
• Authors of publication: Hill, M. N. Stuart; Izod, Keith; O'Shaughness, Paul; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4531
• a: 17.0866 ± 0.0016 Å
• b: 11.4896 ± 0.0011 Å
• c: 18.9224 ± 0.0018 Å
• α: 90°
• β: 114.909 ± 0.002°
• γ: 90°
• Cell volume: 3369.3 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1016
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No