Information card for entry 7008408

Structure parameters

• Formula: C46 H72 Na2 O4 P2 Si4
• Calculated formula: C46 H72 Na2 O4 P2 Si4
• SMILES: [Na]123P(=C([Si](C)(C)C)[Si](C)(C)C)(c4ccccc4C[O]1C)c1ccccc1C[O]2(C)[Na]12P(=C([Si](C)(C)C)[Si](C)(C)C)(c4ccccc4C[O]1C)c1ccccc1C[O]23(C)
• Title of publication: Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.
• Authors of publication: Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1658 - 1663
• a: 9.235 ± 0.004 Å
• b: 11.043 ± 0.004 Å
• c: 13.945 ± 0.007 Å
• α: 85.58 ± 0.04°
• β: 80.06 ± 0.04°
• γ: 69.33 ± 0.03°
• Cell volume: 1310.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No