Information card for entry 7105372

Structure parameters

• Formula: C89 H110 Ca2 N4 O2 P2
• Calculated formula: C82 H102 Ca2 N4 O2 P2
• 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: 13.4254 ± 0.0002 Å
• b: 15.0443 ± 0.0003 Å
• c: 19.9224 ± 0.0004 Å
• α: 86.844 ± 0.001°
• β: 82.166 ± 0.001°
• γ: 85.912 ± 0.001°
• Cell volume: 3971.96 ± 0.13 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: 0.1054
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No