Information card for entry 4344050

Structure parameters

• Formula: C29 H23 Cl3 N5 O4 Rh
• Calculated formula: C29 H23 Cl3 N5 O4 Rh
• SMILES: [Rh]123(Cl)(OC(=O)[C@@H]4[N]3(Cc3[n]2cccc3)CCC4)n2c3c4[n]1c1ccccc1c4c1C(=O)NC(=O)c1c3ccc2.ClCCl
• Title of publication: Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.
• Authors of publication: Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 8111 - 8120
• a: 8.6511 ± 0.0006 Å
• b: 13.3092 ± 0.0009 Å
• c: 23.6366 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2721.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No