Information card for entry 7015735

Structure parameters

• Formula: C24 H29 Ir N2 P
• Calculated formula: C24 H29 Ir N2 P
• SMILES: C1C[N](C)(C)[Ir]2(C)(C)N1c1ccccc1[P]2(c1ccccc1)c1ccccc1
• 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: 16.679 ± 0.005 Å
• b: 15.389 ± 0.005 Å
• c: 17.057 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4378 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No