Information card for entry 7235670

Structure parameters

• Formula: C33 H44 Cl Ir N2 O
• Calculated formula: C33 H44 Cl Ir N2 O
• Title of publication: Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions
• Authors of publication: Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 50
• Pages of publication: 26222
• a: 17.1507 ± 0.0005 Å
• b: 7.778 ± 0.0002 Å
• c: 24.0381 ± 0.0008 Å
• α: 90°
• β: 106.298 ± 0.003°
• γ: 90°
• Cell volume: 3077.78 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No