Information card for entry 1560498

Structure parameters

• Formula: C30 H32 Cl4 F2 Ir2
• Calculated formula: C30 H32 Cl4 F2 Ir2
• Title of publication: Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species
• Authors of publication: Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 2885 - 2895
• a: 8.7487 ± 0.001 Å
• b: 17.713 ± 0.002 Å
• c: 20.308 ± 0.003 Å
• α: 73.261 ± 0.004°
• β: 89.913 ± 0.004°
• γ: 83.794 ± 0.004°
• Cell volume: 2994.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No