Information card for entry 7052390

Structure parameters

• Formula: C41 H41 Li N2 O P2
• Calculated formula: C41 H41 Li N2 O P2
• SMILES: P1(=[N](c2ccccc2)[Li](N(c2ccccc2)P(=C1)(c1ccccc1)c1ccccc1)[O](CC)CC)(c1ccccc1)c1ccccc1
• Title of publication: A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives
• Authors of publication: Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 1745
• a: 15.799 ± 0.001 Å
• b: 10.945 ± 0.001 Å
• c: 20.552 ± 0.001 Å
• α: 90°
• β: 98.349 ± 0.001°
• γ: 90°
• Cell volume: 3516.2 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No