Information card for entry 2103798

Structure parameters

• Chemical name: bis(mu!2$-Ethane-1,2-dithiolato-S,S,S',S')-bis(ethene-1,2-dithiolato)- -technetium(iv)
• Formula: C8 H12 S8 Tc2
• Calculated formula: C8 H12 S8 Tc2
• SMILES: C1S[Tc]2345(SC=1)[S]1CC[S]4[Tc]4651([S]2CC[S]34)SC=CS6
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 11.361 ± 0.006 Å
• b: 8.303 ± 0.005 Å
• c: 8.987 ± 0.005 Å
• α: 90°
• β: 95.25 ± 0.05°
• γ: 90°
• Cell volume: 844.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0116
• Residual factor for significantly intense reflections: 0.0102
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.423
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No