Information card for entry 7043053

Structure parameters

• Formula: C34 H30 Cl5 F3 N2 P Rh
• Calculated formula: C34 H30 Cl5 F3 N2 P Rh
• SMILES: [Rh]12(Cl)(Cl)(Cl)[P](c3ccccc3)(c3ccccc3)c3ccccc3C[N]1(Cc1[n]2cccc1)Cc1cc(ccc1)C(F)(F)F.C(Cl)Cl
• Title of publication: Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands
• Authors of publication: Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.5392 ± 0.0005 Å
• b: 11.6573 ± 0.0007 Å
• c: 19.4298 ± 0.0012 Å
• α: 77.272 ± 0.001°
• β: 89.893 ± 0.001°
• γ: 88.693 ± 0.001°
• Cell volume: 1665.22 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No