Information card for entry 4336590

Structure parameters

• Formula: C42 H41 Cl5 Ir P3
• Calculated formula: C42 H39 Cl5 Ir P3
• Title of publication: Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation
• Authors of publication: Andreas Ross; Paul R. Sharp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12645 - 12654
• a: 28.602 ± 0.005 Å
• b: 28.602 ± 0.005 Å
• c: 25.675 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18190 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No