Information card for entry 7038786

Structure parameters

• Formula: C46 H40 Ir N O P2
• Calculated formula: C46 H40 Ir N O P2
• Title of publication: C-H activation of ethers by pyridine tethered PCsp3P-type iridium complexes.
• Authors of publication: Cui, Peng; Babbini, Dominic C.; Iluc, Vlad M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 10007 - 10016
• a: 42.263 ± 0.0017 Å
• b: 9.1164 ± 0.0004 Å
• c: 18.875 ± 0.0007 Å
• α: 90°
• β: 92.105 ± 0.003°
• γ: 90°
• Cell volume: 7267.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No