Information card for entry 7215445

Structure parameters

• Formula: C36 H26 P2 S Se
• Calculated formula: C36 H26 P2 S Se
• Title of publication: Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal
• Authors of publication: Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5423
• a: 10.32 ± 0.002 Å
• b: 9.3942 ± 0.0015 Å
• c: 15.135 ± 0.002 Å
• α: 90°
• β: 92.101 ± 0.004°
• γ: 90°
• Cell volume: 1466.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.024
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No