Information card for entry 1567317

Structure parameters

• Formula: C17 H23 N2 O2 Rh S
• Calculated formula: C17 H23 N2 O2 Rh S
• SMILES: [Rh]12345(Nc6c(N1S(=O)(=O)C)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand
• Authors of publication: Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.266 ± 0.003 Å
• b: 15.322 ± 0.003 Å
• c: 16.848 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.6 ± 1.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No