Information card for entry 7008828

Structure parameters

• Formula: C36 H30 Br2 N2 P2 Se
• Calculated formula: C36 H30 Br2 N2 P2 Se
• SMILES: P(=N[Se](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Br)Br)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The use of the bromosulfimide Ph2S=NBr as nitrogen source in reactions with selenium-based systems.
• Authors of publication: Clegg, William; Dale, Sophie H.; Drennan, Dennis; Kelly, Paul F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3140 - 3142
• a: 21.66 ± 0.0009 Å
• b: 8.865 ± 0.0004 Å
• c: 16.8908 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3243.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No