Information card for entry 7231346

Structure parameters

• Formula: C18 H26 Cl9 Ir N2 O4 S
• Calculated formula: C18 H26 Cl9 Ir N2 O4 S
• 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: 11.2915 ± 0.0004 Å
• b: 16.6242 ± 0.0006 Å
• c: 32.7927 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6155.6 ± 0.4 ų
• Cell temperature: 199.9 ± 0.4 K
• Ambient diffraction temperature: 199.9 ± 0.4 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No