Information card for entry 7231348

Structure parameters

• Formula: C18 H29 Cl2 F6 Ir N2 O8 S2
• Calculated formula: C18 H29 Cl2 F6 Ir N2 O8 S2
• 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: 11.2529 ± 0.0005 Å
• b: 21.6653 ± 0.0007 Å
• c: 12.9575 ± 0.0005 Å
• α: 90°
• β: 111.582 ± 0.005°
• γ: 90°
• Cell volume: 2937.5 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No