Information card for entry 7015736

Structure parameters

• Common name: wb12nov10
• Formula: C27 H35 I Ir N2 O P
• Calculated formula: C27 H35 I Ir N2 O P
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2CC[N](C)(C)[Ir]12(C)(I)[O]1CCCC1
• Title of publication: Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand.
• Authors of publication: Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4300 - 4306
• a: 10.255 ± 0.005 Å
• b: 16.564 ± 0.008 Å
• c: 15.548 ± 0.008 Å
• α: 90°
• β: 98.231 ± 0.006°
• γ: 90°
• Cell volume: 2614 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No