Information card for entry 7703496

Structure parameters

• Formula: C31 H53 Cl2 Ir O P2
• Calculated formula: C31 H53 Cl2 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: 11.6548 ± 0.0002 Å
• b: 11.78332 ± 0.00018 Å
• c: 24.5327 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3369.13 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.02
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No