Information card for entry 7048509

Structure parameters

• Formula: C6 H4 N2 S3
• Calculated formula: C6 H4 N2 S3
• Title of publication: Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.
• Authors of publication: Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1263 - 1274
• a: 5.1947 ± 0.0007 Å
• b: 13.717 ± 0.002 Å
• c: 10.9339 ± 0.0016 Å
• α: 90°
• β: 93.1 ± 0.005°
• γ: 90°
• Cell volume: 777.96 ± 0.19 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No