Information card for entry 4083122

Structure parameters

• Common name: Woo37
• Formula: C122 H116 Ir2 N12 O2
• Calculated formula: C122 H116 Ir2 N12 O2
• Title of publication: Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes
• Authors of publication: Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2219
• a: 9.8727 ± 0.0011 Å
• b: 16.6107 ± 0.0019 Å
• c: 18.154 ± 0.002 Å
• α: 107.208 ± 0.002°
• β: 96.73 ± 0.002°
• γ: 90.354 ± 0.002°
• Cell volume: 2821.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No