Information card for entry 7045263

Structure parameters

• Formula: C55 H74 Cl4 N4 O2 P2 Pd2
• Calculated formula: C55 H74 Cl4 N4 O2 P2 Pd2
• SMILES: c12ccccc1c1ccccc1N(C)[P](N2C)(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[Pd]1([Cl][Pd]([P]2(N(c3ccccc3c3ccccc3N2C)C)O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)([Cl]1)Cl)Cl.c1ccccc1C
• Title of publication: Mechanistic insights into the tropo-inversion of the biphenyl moiety in chiral bis-amido phosphites and in their palladium(ii) complexes.
• Authors of publication: Passera, Alessandro; Iuliano, Anna; Pérez-Torrente, Jesús J; Passarelli, Vincenzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2292 - 2305
• a: 10.2297 ± 0.0007 Å
• b: 10.7327 ± 0.0007 Å
• c: 14.5425 ± 0.001 Å
• α: 82.165 ± 0.001°
• β: 74.831 ± 0.001°
• γ: 66.027 ± 0.001°
• Cell volume: 1407.28 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No