Information card for entry 7128035

Structure parameters

• Formula: C51 H67 Cl3 F6 N4 O2 P Rh
• Calculated formula: C51 H67 Cl3 F6 N4 O2 P Rh
• Title of publication: Hybrids of cationic [4]helicene and N-heterocyclic carbene as ligands for complexes exhibiting (chir)optical properties in the far red spectral window.
• Authors of publication: Tarrieu, Robert; Delgado, Irene Hernandez; Zinna, Francesco; Dorcet, Vincent; Colombel-Rouen, Sophie; Crévisy, Christophe; Baslé, Olivier; Bosson, Johann; Lacour, Jérôme
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 31
• Pages of publication: 3793 - 3796
• a: 9.8537 ± 0.0011 Å
• b: 22.588 ± 0.003 Å
• c: 22.749 ± 0.003 Å
• α: 90°
• β: 97.22 ± 0.004°
• γ: 90°
• Cell volume: 5023.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1861
• Residual factor for significantly intense reflections: 0.1633
• Weighted residual factors for significantly intense reflections: 0.3558
• Weighted residual factors for all reflections included in the refinement: 0.3665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No