Information card for entry 2009208

Structure parameters

• Formula: C33 H37 Cl3 Ir N2 O2 P
• Calculated formula: C33 H37 Cl3 Ir N2 O2 P
• SMILES: [Ir]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(N(C(=O)N1C(=O)C)C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C.C(Cl)(Cl)Cl
• Title of publication: [<i>N</i>-Acetyl-<i>N</i>'-methylureato(2 ‒)-<i>N</i>,<i>N</i>'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-<i>P</i>)iridium(III) chloroform solvate
• Authors of publication: Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1778 - 1780
• a: 12.5471 ± 0.0002 Å
• b: 17.0445 ± 0.0001 Å
• c: 16.7432 ± 0.0003 Å
• α: 90°
• β: 111.06 ± 0.001°
• γ: 90°
• Cell volume: 3341.51 ± 0.09 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No