Information card for entry 7011563

Structure parameters

• Formula: C47 H37 Cl N2 O2 P2 Re S
• Calculated formula: C47 H37 Cl N2 O2 P2 Re S
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(OC(=Nc2scc[n]12)c1ccccc1)C#[O]
• 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: 9.7671 ± 0.0001 Å
• b: 11.7999 ± 0.0002 Å
• c: 19.8616 ± 0.0003 Å
• α: 76.5863 ± 0.0008°
• β: 89.1218 ± 0.001°
• γ: 68.3395 ± 0.0009°
• Cell volume: 2063.13 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No