Information card for entry 7040089

Structure parameters

• Formula: C25 H34.5 Cl N O4.25 Rh S
• Calculated formula: C25 H34 Cl N O4.25 Rh S
• SMILES: [Rh]12345(Cl)([S](C[C@H](NC(=O)OC(C)(C)C)C(=O)O1)Cc1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.O
• Title of publication: Half-sandwich complexes of rhodium containing cysteine-derived ligands.
• Authors of publication: Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14203 - 14215
• a: 24.5611 ± 0.0016 Å
• b: 8.8388 ± 0.0006 Å
• c: 24.6996 ± 0.0016 Å
• α: 90°
• β: 93.743 ± 0.001°
• γ: 90°
• Cell volume: 5350.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No