Information card for entry 4335313

Structure parameters

• Formula: C72 H86 F12 Ir2 N4 O2 P4
• Calculated formula: C72 H86 F12 Ir2 N4 O2 P4
• Title of publication: Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes
• Authors of publication: Xianghao Liu; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7367 - 7379
• a: 10.0347 ± 0.0006 Å
• b: 14.2909 ± 0.0006 Å
• c: 14.4418 ± 0.0007 Å
• α: 62.225 ± 0.003°
• β: 72.114 ± 0.003°
• γ: 85.688 ± 0.003°
• Cell volume: 1738.16 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No