Information card for entry 1560009

Structure parameters

• Formula: C28 H47 Cl N3 P3 Ti
• Calculated formula: C28 H47 Cl N3 P3 Ti
• SMILES: [Ti]1(Cl)([N](c2ccccc2)=P(P=P(N1c1ccccc1)(C(C)C)C(C)C)(C(C)C)C(C)C)=NC(C)(C)C
• 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: 19.7139 ± 0.0008 Å
• b: 17.7743 ± 0.0009 Å
• c: 20.2496 ± 0.0009 Å
• α: 90°
• β: 112.411 ± 0.001°
• γ: 90°
• Cell volume: 6559.6 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No