Information card for entry 7713280

Structure parameters

• Formula: C37 H48 Cl N2 O4 Rh
• Calculated formula: C37 H48 Cl N2 O4 Rh
• SMILES: [Rh]12345(Cl)([n]6c7cc(ccc7n(c6c6c1cc(cc6)OC(=O)C(CCC)CCC)CCCC)C(=O)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Novel valproate half-sandwich rhodium and iridium conjugates to fight against multidrug-resistant Gram-positive bacteria.
• Authors of publication: Marco, Alicia; Vigueras, Gloria; Busto, Natalia; Cutillas, Natalia; Bautista, Delia; Ruiz, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.8394 ± 0.0005 Å
• b: 11.3065 ± 0.0006 Å
• c: 14.4856 ± 0.0007 Å
• α: 105.159 ± 0.002°
• β: 94.76 ± 0.002°
• γ: 90.872 ± 0.002°
• Cell volume: 1706.35 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No