Information card for entry 7061925

Structure parameters

• Formula: C20 H28 Cl3 Ir N4 O2
• Calculated formula: C20 H28 Cl3 Ir N4 O2
• Title of publication: RhIII and IrIII complexes bearing NNO-heteroscorpionates and their application in catalytic transfer hydrogenation
• Authors of publication: Cerón-Castelán, Jesus E.; Salazar-Pereda, Veronica; González-Montiel, Simplicio; Mendoza-Espinosa, Daniel; Castro-Osma, José A.; López-Santos, Laura; Gómez-Bonilla, Manuel A.; Sandoval-Chavez, Cesar I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 19841 - 19847
• a: 9.0513 ± 0.0003 Å
• b: 9.9959 ± 0.0003 Å
• c: 14.488 ± 0.0005 Å
• α: 87.523 ± 0.003°
• β: 84.864 ± 0.003°
• γ: 74.434 ± 0.003°
• Cell volume: 1257.41 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No