Information card for entry 7703495

Structure parameters

• Formula: C29 H49 Ir O3 P2
• Calculated formula: C29 H49 Ir O3 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: 20.8772 ± 0.0002 Å
• b: 10.65296 ± 0.00008 Å
• c: 13.56659 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3017.26 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No