Information card for entry 4079532

Structure parameters

• Formula: C108 H96 Cl18 F12 Ir2 N4 O2 P6
• Calculated formula: C108 H96 Cl18 F12 Ir2 N4 O2 P6
• Title of publication: N,N′-Dialkylation Catalyzed by Bimetallic Iridium Complexes Containing a Saturated Bis-N-Heterocyclic Carbene (NHC) Ligand
• Authors of publication: Kuo, Hsin-Ya; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7248
• a: 13.6471 ± 0.0002 Å
• b: 25.3253 ± 0.0003 Å
• c: 17.3337 ± 0.0002 Å
• α: 90°
• β: 99.907 ± 0.001°
• γ: 90°
• Cell volume: 5901.49 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No