Information card for entry 7717436

Structure parameters

• Common name: [ReBr(CO)3(LMe,Me)]
• Chemical name: (N,N-dimethyl-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine)bromotricarbonylrhenium(I)
• Formula: C11 H10 Br N6 O5 Re S
• Calculated formula: C11 H10 Br N6 O5 Re S
• Title of publication: Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease.
• Authors of publication: Gonçalves, Ana C R; Libardi, Silvia H.; Borges, Júlio C; Oliveira, Ronaldo J.; Gotzmann, Carla; Blacque, Olivier; de Albuquerque, Sergio; Lopes, Carla D.; Alberto, Roger; Maia, Pedro I. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19153 - 19165
• a: 12.8669 ± 0.0005 Å
• b: 8.914 ± 0.0003 Å
• c: 29.5706 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3391.6 ± 0.2 ų
• Cell temperature: 159.95 ± 0.1 K
• Ambient diffraction temperature: 159.95 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No