Information card for entry 7153563

Structure parameters

• Formula: C37 H36 Cl N2 O3 Rh
• Calculated formula: C37 H36 Cl N2 O3 Rh
• SMILES: c1cccc2c3cc(ccc3[Rh]3456([c]7([c]6([c]5([c]4([c]37C)C)C)C)C)(Cl)[n]12)N1[C@@H]([C@@H](C1=O)Oc1ccccc1)c1ccc(cc1)OC.c1cccc2c3cc(ccc3[Rh]3456([c]7([c]6([c]5([c]4([c]37C)C)C)C)C)(Cl)[n]12)N1[C@H]([C@H](C1=O)Oc1ccccc1)c1ccc(cc1)OC
• Title of publication: Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.
• Authors of publication: Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 286 - 297
• a: 32.2169 ± 0.001 Å
• b: 32.2169 ± 0.001 Å
• c: 20.2356 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18189.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No