Information card for entry 7048513

Structure parameters

• Formula: C26 H20 F12 N6 P2 Ru S3
• Calculated formula: C26 H20 F12 N6 P2 Ru 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: 9.9194 ± 0.001 Å
• b: 12.2967 ± 0.0012 Å
• c: 15.4919 ± 0.0016 Å
• α: 83.535 ± 0.003°
• β: 78.175 ± 0.002°
• γ: 71.471 ± 0.002°
• Cell volume: 1751.4 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No