Information card for entry 7011566

Structure parameters

• Formula: C56 H56 N6 O9 P2 Re2 S2
• Calculated formula: C56 H56 N6 O9 P2 Re2 S2
• SMILES: [Re]123([P](C)(C)c4ccccc4)(=O)O[Re]4([P](C)(C)c5ccccc5)(=O)([n]5ccsc5N1C(=O)[C@@H](N2C(=O)OCc1ccccc1)Cc1ccccc1)N(c1scc[n]31)C(=O)[C@@H](N4C(=O)OCc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis, characterization, properties and structures of rhenium-(ii), -(iii), and -(v) complexes containing amino acids conjugated with a 2-aminothiazole ligand
• Authors of publication: Lazzaro, Antonio; Vertuani, Gianni; Bergamini, Paola; Mantovani, Nicoletta; Marchi, Andrea; Marvelli, Lorenza; Rossi, Roberto; Bertolasi, Valerio; Ferretti, Valeria
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2843
• a: 14.9495 ± 0.0004 Å
• b: 17.8488 ± 0.0005 Å
• c: 21.3756 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5703.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No