Information card for entry 7036223

Structure parameters

• Formula: C18 H18 Br N4 O6 Re S
• Calculated formula: C18 H18 Br N4 O6 Re S
• SMILES: Br[Re]1(C#[O])(C#[O])(C#[O])[N](=Cc2ccc(N(=O)=O)o2)NC(=[S]1)NCC.c1(ccccc1)C
• 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: 7.0954 ± 0.0006 Å
• b: 13.0042 ± 0.001 Å
• c: 25.104 ± 0.002 Å
• α: 90°
• β: 97.113 ± 0.003°
• γ: 90°
• Cell volume: 2298.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No