Information card for entry 7031715

Structure parameters

• Formula: C26 H26 Cl F3 N3 O4 Rh S
• Calculated formula: C26 H26 Cl F3 N3 O4 Rh S
• SMILES: [Rh]12345(Cl)([N](=Nc6[n]3cccc6)c3c6c(cccc6)ccc3O)[c]3([c]4([c]2([c]5([c]13C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Water oxidation catalysts and pH sensors based on azo-conjugated iridium/rhodium motifs.
• Authors of publication: Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Pan, Yan; Wei, Xianwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12221 - 12227
• a: 8.583 ± 0.004 Å
• b: 16.929 ± 0.007 Å
• c: 19.659 ± 0.008 Å
• α: 90°
• β: 99.892 ± 0.005°
• γ: 90°
• Cell volume: 2814 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1869
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No