Information card for entry 7036224

Structure parameters

• Formula: C26 H28 N8 O14 Re2 S2
• Calculated formula: C26 H28 N8 O14 Re2 S2
• SMILES: [Re]12([S]([Re]3([S]1C(=N[N]3=Cc1oc(N(=O)=O)cc1)NCC)(C#[O])(C#[O])C#[O])C(=N[N]2=Cc1oc(N(=O)=O)cc1)NCC)(C#[O])(C#[O])C#[O].OC.O=C(C)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: 9.212 ± 0.0008 Å
• b: 41.834 ± 0.004 Å
• c: 9.7296 ± 0.0009 Å
• α: 90°
• β: 99.338 ± 0.004°
• γ: 90°
• Cell volume: 3699.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No