Information card for entry 7052387

Structure parameters

• Formula: C39 H54 Br2 N2 O P2
• Calculated formula: C39 H54 Br2 N2 O P2
• 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: 11.117 ± 0.001 Å
• b: 18.714 ± 0.001 Å
• c: 18.941 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3940.6 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No