Information card for entry 4329762

Structure parameters

• Formula: C32 H36 Ca O2 P2 Se4
• Calculated formula: C32 H36 Ca O2 P2 Se4
• SMILES: [Ca]12([Se]=P([Se]1)(c1ccccc1)c1ccccc1)([Se]=P([Se]2)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• 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: 8.899 ± 0.0018 Å
• b: 26.29 ± 0.005 Å
• c: 15.472 ± 0.003 Å
• α: 90°
• β: 103.45 ± 0.03°
• γ: 90°
• Cell volume: 3520.5 ± 1.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No