Information card for entry 4316845

Structure parameters

• Formula: C33 H27 N3 P2
• Calculated formula: C33 H27 N3 P2
• SMILES: P(N(P(c1ccccc1)c1ccccc1)Nc1c2ncccc2ccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chemistry of the Phosphorus-Nitrogen Ligands. Multiple Isomeric Transformations of the Diphosphinohydrazine Bearing 8-Quinolyl Substituent: P→C, P→N, and P→P Migrations Caused by Different Factors
• Authors of publication: Alexander N. Kornev; Natalia V. Belina; Vyacheslav V. Sushev; Julia S. Panova; Olga V. Lukoyanova; Sergey Y. Ketkov; Georgy K. Fukin; Mikhail A. Lopatin; Gleb A. Abakumov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9677 - 9682
• a: 9.3768 ± 0.0004 Å
• b: 28.0714 ± 0.0012 Å
• c: 10.5737 ± 0.0005 Å
• α: 90°
• β: 100.801 ± 0.001°
• γ: 90°
• Cell volume: 2733.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No