Information card for entry 7001754

Structure parameters

• Formula: C28 H49 N Na O2 P Si2
• Calculated formula: C28 H49 N Na O2 P Si2
• SMILES: [Na]12(P(=C([Si](C)(C)C)[Si](C)(C)C)(c3ccccc3C[N]1(C)C)c1ccccc1C[O]2C)[O](CC)CC
• Title of publication: Mixed donor-functionalised phosphinomethanide complexes of the alkali metals; synthesis, structures, and solution dynamics
• Authors of publication: Wills, Corinne; Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6159
• a: 11.7246 ± 0.0016 Å
• b: 21.945 ± 0.005 Å
• c: 12.9043 ± 0.001 Å
• α: 90°
• β: 99.349 ± 0.008°
• γ: 90°
• Cell volume: 3276.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No