Information card for entry 7043055

Structure parameters

• Formula: C33 H28 Cl2 F3 N2 O0.5 P Rh
• Calculated formula: C33 H27 Cl2 F3 N2 O0.493 P Rh
• 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: 13.3199 ± 0.0006 Å
• b: 11.382 ± 0.0005 Å
• c: 20.6691 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3133.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No