Information card for entry 4314183

Structure parameters

• Formula: C32 H35 N2 O6 Re S3
• Calculated formula: C32 H29 N2 O6 Re S3
• SMILES: [Re]1(Sc2ccc(OC)cc2)(Sc2ccc(OC)cc2)(Sc2ccc(OC)cc2)([n]2ccccc2c2[n]1cccc2)=O.O.OC
• Title of publication: Synthesis and Characterization of Novel Oxotechnetium (99Tc and 99mTc) and Oxorhenium Complexes from the 2,2'-Bipyridine (NN)/Thiol (S) Mixed-Ligand System
• Authors of publication: Maria Papachristou; Ioannis C. Pirmettis; Charalambos Tsoukalas; Dionyssia Papagiannopoulou; Catherine Raptopoulou; Aris Terzis; Chariklia I. Stassinopoulou; Efstratios Chiotellis; Maria Pelecanou; Minas Papadopoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5778 - 5784
• a: 16.32 ± 0.01 Å
• b: 24.55 ± 0.02 Å
• c: 16.94 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6787 ± 8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1628
• Weighted residual factors for significantly intense reflections: 0.1308
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No