Information card for entry 7703494

Structure parameters

• Formula: C31 H53 Ir O P2
• Calculated formula: C31 H53 Ir O P2
• Title of publication: Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.
• Authors of publication: Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2087 - 2101
• a: 10.91013 ± 0.00011 Å
• b: 13.58277 ± 0.00017 Å
• c: 20.9292 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3101.49 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No