Information card for entry 7030023

Structure parameters

• Formula: C28 H32 N2 O6 Rh S
• Calculated formula: C28 H32 N2 O6 Rh S
• SMILES: [Rh]12345([N](=Nc6c(ccc7c6cccc7)O5)c5ccc(cc5)S(=O)(=O)[O-])([c]5([c]1([c]4([c]3([c]25C)C)C)C)C)[OH]C.OC
• Title of publication: Azo-conjugated half-sandwich Rh/Ru complexes for homogeneous water-oxidation catalysis.
• Authors of publication: Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Jia, Juan-Ying; Wei, Xianwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6561 - 6566
• a: 8.4832 ± 0.0012 Å
• b: 11.8088 ± 0.0016 Å
• c: 15.522 ± 0.002 Å
• α: 72.944 ± 0.002°
• β: 81.433 ± 0.002°
• γ: 69.411 ± 0.002°
• Cell volume: 1389.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No