Information card for entry 7008535

Structure parameters

• Formula: C21 H26 N O S8 Tc
• Calculated formula: C21 H14 N O S8 Tc
• SMILES: [Tc]123([S]=C(SS1)c1ccccc1)([S]=C(SS2)c1ccccc1)[S]=C(S3)N(CC)CC.OCC
• Title of publication: Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.
• Authors of publication: Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2866 - 2875
• a: 9.913 ± 0.002 Å
• b: 10.414 ± 0.002 Å
• c: 14.912 ± 0.003 Å
• α: 109.94 ± 0.03°
• β: 90.39 ± 0.03°
• γ: 108.16 ± 0.03°
• Cell volume: 1364 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No