Information card for entry 7048501

Structure parameters

• Chemical name: η5-Pentamethylcyclopentadienyliridium(1-(2-chloro-6-fluorophenylmethyl)-3-methylimidazolin-2-ylidene) carbonate
• Formula: C22 H29 Cl F Ir N2 O5
• Calculated formula: C22 H29 Cl F Ir N2 O5
• Title of publication: Conversion of haloform to carbonate by iridium N-heterocyclic carbene complexes and silver(i) oxide.
• Authors of publication: Marr, Andrew C.; Morgan, Patrick J.; Saunders, Graham C.; Thomas, Hayden P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1947 - 1949
• a: 24.4133 ± 0.0004 Å
• b: 15.2016 ± 0.0002 Å
• c: 12.9342 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4800.16 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0599
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No