Information card for entry 7231347

Structure parameters

• Formula: C22 H27 Ir N2 O2
• Calculated formula: C22 H27 Ir N2 O2
• Title of publication: Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
• Authors of publication: Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 4094
• a: 8.592 ± 0.0002 Å
• b: 10.2464 ± 0.0003 Å
• c: 12.6648 ± 0.0003 Å
• α: 78.655 ± 0.002°
• β: 82.445 ± 0.002°
• γ: 67.017 ± 0.003°
• Cell volume: 1004.56 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No