Information card for entry 2006816

Structure parameters

• Chemical name: Bis(diphenylphosphino)methane Diselenide
• Formula: C25 H22 P2 Se2
• Calculated formula: C25 H22 P2 Se2
• SMILES: P(CP(=[Se])(c1ccccc1)c1ccccc1)(=[Se])(c1ccccc1)c1ccccc1
• Title of publication: A New Modification of Bis(diphenylphosphino)methane Diselenide
• Authors of publication: Ahrens, Birte; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1852 - 1854
• a: 21.903 ± 0.004 Å
• b: 10.449 ± 0.0014 Å
• c: 10.1168 ± 0.0014 Å
• α: 90°
• β: 107.298 ± 0.012°
• γ: 90°
• Cell volume: 2210.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.0884
• Goodness-of-fit parameter for all reflections: 0.925
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No