Information card for entry 7044385

Structure parameters

• Formula: C64 H100 Na2 O4 P2
• Calculated formula: C64 H100 Na2 O4 P2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[P]1(c2c(cccc2C(C)C)C(C)C)[Na]([O]2CCCC2)([O]2CCCC2)[P](c2c(cccc2C(C)C)C(C)C)(c2c(cccc2C(C)C)C(C)C)[Na]1([O]1CCCC1)[O]1CCCC1
• Title of publication: Desolvation and aggregation of sterically demanding alkali metal diarylphosphides
• Authors of publication: Izod, Keith; Evans, Peter; Waddell, Paul G.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.7669 ± 0.0006 Å
• b: 16.8927 ± 0.0005 Å
• c: 19.9516 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6325.1 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No