Information card for entry 1560012

Structure parameters

• Formula: C47 H47 Cl N3 P3 Ti
• Calculated formula: C47 H47 Cl N3 P3 Ti
• Title of publication: Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
• Authors of publication: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 253 - 269
• a: 12.4622 ± 0.0007 Å
• b: 22.1019 ± 0.0012 Å
• c: 15.1862 ± 0.0005 Å
• α: 90°
• β: 94.567 ± 0.001°
• γ: 90°
• Cell volume: 4169.6 ± 0.4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0651
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No