Information card for entry 7105371

Structure parameters

• Formula: C62 H80 Ca O2 P2 Si4
• Calculated formula: C62 H80 Ca O2 P2 Si4
• SMILES: c1(ccccc1)P(=[O][Ca](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Calcium-centred phosphine oxide reactivity: P-C metathesis, reduction and P-P coupling.
• Authors of publication: Hill, Michael S; Mahon, Mary F; Robinson, Thomas P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 2498 - 2500
• a: 26.5254 ± 0.0005 Å
• b: 11.7454 ± 0.0002 Å
• c: 23.6923 ± 0.0005 Å
• α: 90°
• β: 122.87 ± 0.001°
• γ: 90°
• Cell volume: 6199.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No