Information card for entry 1560007

Structure parameters

• Formula: C77 H70 B Cl2 N2 O2 P3 Ti
• Calculated formula: C77 H70 B Cl2 N2 O2 P3 Ti
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[N]1=P(c2ccccc2)(c2ccccc2)P2P(c3ccccc3)(c3ccccc3)=[N](c3ccccc3)[Ti]12(Oc1c(cccc1C)C)Oc1c(cccc1C)C.C(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: 11.7665 ± 0.0019 Å
• b: 13.781 ± 0.002 Å
• c: 20.643 ± 0.003 Å
• α: 82.299 ± 0.004°
• β: 86.711 ± 0.004°
• γ: 80.965 ± 0.004°
• Cell volume: 3273.7 ± 0.9 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No