Information card for entry 7036227

Structure parameters

• Formula: C13.5 H12 Br N4 O6 Re S
• Calculated formula: C13.5 H12 Br N4 O6 Re S
• Title of publication: Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.
• Authors of publication: Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16136 - 16148
• a: 7.5512 ± 0.0007 Å
• b: 10.6017 ± 0.0009 Å
• c: 12.8522 ± 0.0012 Å
• α: 94.519 ± 0.005°
• β: 97.975 ± 0.005°
• γ: 90.201 ± 0.004°
• Cell volume: 1015.66 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No