Information card for entry 1560002

Structure parameters

• Formula: C40 H38 Cl2 N2 O P3 Ti
• Calculated formula: C40 H38 Cl2 N2 O P3 Ti
• SMILES: c1(ccccc1)[N]1=P(c2ccccc2)(c2ccccc2)P2P(c3ccccc3)(c3ccccc3)=[N](c3ccccc3)[Ti]12(Cl)(Cl)[O]1CCCC1
• 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: 10.1219 ± 0.0016 Å
• b: 16.662 ± 0.003 Å
• c: 22.432 ± 0.004 Å
• α: 90°
• β: 99.27 ± 0.003°
• γ: 90°
• Cell volume: 3733.8 ± 1.1 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 7
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No