Information card for entry 7042379

Structure parameters

• Formula: C37 H48 F6 Ir N O6 P2 S4
• Calculated formula: C37 H48 F6 Ir N O6 P2 S4
• Title of publication: Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes.
• Authors of publication: Doyle, Lauren E.; Piers, Warren E.; Bi, David W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4346 - 4354
• a: 8.095 ± 0.002 Å
• b: 15.58 ± 0.003 Å
• c: 18.098 ± 0.004 Å
• α: 102.04 ± 0.03°
• β: 90.11 ± 0.03°
• γ: 92.16 ± 0.03°
• Cell volume: 2230.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No