Information card for entry 1560004

Structure parameters

• Formula: C24 H38 Cl3 N2 P3 Zr
• Calculated formula: C24 H38 Cl3 N2 P3 Zr
• SMILES: [Zr]12(Cl)(Cl)([N](=P(P1P(C(C)C)(C(C)C)=[N]2c1ccccc1)(C(C)C)C(C)C)c1ccccc1)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: 16.455 ± 0.0009 Å
• b: 16.291 ± 0.0008 Å
• c: 22.0025 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5898.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No