Information card for entry 1560010

Structure parameters

• Formula: C24 H38 Cl2 N2 P3 Ti
• Calculated formula: C24 H38 Cl2 N2 P3 Ti
• SMILES: c1(ccccc1)[N]1=P(C(C)C)(C(C)C)P2P(C(C)C)(C(C)C)=[N](c3ccccc3)[Ti]12(Cl)Cl
• 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: 11.1686 ± 0.0013 Å
• b: 15.39 ± 0.002 Å
• c: 16.608 ± 0.002 Å
• α: 90°
• β: 99.796 ± 0.006°
• γ: 90°
• Cell volume: 2813 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No