Information card for entry 2205822

Structure parameters

• Chemical name: μ-oxalato-1κ^2^O,O':2κ^2^O'',O'''tetrakis(phenylpyridine-κ^2^C,N)\- diiridium(III) acetone 1.974 solvate
• Formula: C51.92 H43.85 Ir2 N4 O5.97
• Calculated formula: C51.922 H43.844 Ir2 N4 O5.974
• Title of publication: The photodecomposition product μ-oxalato-1κ^2^<i>O</i>,<i>O</i>':2κ^2^<i>O</i>'',<i>O</i>'''-bis{bis[2-(2-pyridyl)phenyl-κ^2^<i>C</i>,<i>N</i>]iridium(III)}‒acetone (1/1.974)
• Authors of publication: DeRosa, Maria C.; Enright, Gary D.; Evans, Christopher E. B.; Crutchley, Robert J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m967 - m969
• a: 9.9708 ± 0.0005 Å
• b: 13.0403 ± 0.0007 Å
• c: 19.3556 ± 0.001 Å
• α: 103.383 ± 0.001°
• β: 99.003 ± 0.001°
• γ: 98.203 ± 0.001°
• Cell volume: 2375.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes