Information card for entry 4329759

Structure parameters

• Formula: C40 H52 Ca O6 P2
• Calculated formula: C40 H52 Ca O6 P2
• SMILES: c1(ccccc1)P(c1ccccc1)O[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)OP(c1ccccc1)c1ccccc1
• Title of publication: Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)
• Authors of publication: Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7903 - 7912
• a: 9.705 ± 0.0002 Å
• b: 8.5891 ± 0.0001 Å
• c: 23.51 ± 0.0006 Å
• α: 90°
• β: 92.052 ± 0.001°
• γ: 90°
• Cell volume: 1958.47 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No