Information card for entry 7016468

Structure parameters

• Formula: C23 H42 I2 Ir N P2
• Calculated formula: C23 H42 I2 Ir N P2
• SMILES: [Ir]123(I)(I)[P](C(C)(C)C)(C(C)(C)C)Cc4[n]2c(C[P]1(C(C3)(C)C)C(C)(C)C)ccc4
• Title of publication: Iridium complexes bearing a PNP ligand, favoring facile C(sp(3))-H bond cleavage.
• Authors of publication: Lokare, Kapil S.; Nielsen, Robert J.; Yousufuddin, Muhammed; Goddard Iii, William A.; Periana, Roy A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9094 - 9097
• a: 14.348 ± 0.004 Å
• b: 11.993 ± 0.003 Å
• c: 16.442 ± 0.004 Å
• α: 90°
• β: 90.767 ± 0.003°
• γ: 90°
• Cell volume: 2829 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No