Information card for entry 7048514

Structure parameters

• Formula: C30 H20 F12.2 N6 O2 P2 Ru S3
• Calculated formula: C30 H20 F12.196 N6 O2 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: 12.8317 ± 0.0008 Å
• b: 15.276 ± 0.001 Å
• c: 36.552 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7164.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No