Information card for entry 7052964

Structure parameters

• Formula: C20 H20 N P Se
• Calculated formula: C20 H20 N P Se
• SMILES: [Se]=P(Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1
• Title of publication: N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere
• Authors of publication: Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2280
• a: 11.8869 ± 0.0002 Å
• b: 11.8869 ± 0.0002 Å
• c: 12.6006 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.44 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No