Information card for entry 4068588

Structure parameters

• Formula: C35 H55 Cl2 F6 Ir N4 P2
• Calculated formula: C35 H55 Cl2 F6 Ir N4 P2
• Title of publication: LabileN-Heterocyclic Carbene Complexes of Iridium
• Authors of publication: Torres, Olga; Martín, Marta; Sola, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 863
• a: 8.4651 ± 0.0013 Å
• b: 13.452 ± 0.002 Å
• c: 18.884 ± 0.003 Å
• α: 86.411 ± 0.003°
• β: 80.23 ± 0.003°
• γ: 81.115 ± 0.003°
• Cell volume: 2092.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No