Information card for entry 7048510

Structure parameters

• Formula: C16 H14 F12 N6 O4 P2 Ru S6
• Calculated formula: C16 H14 F12 N6 O4 P2 Ru S6
• 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: 15.7488 ± 0.001 Å
• b: 10.253 ± 0.0006 Å
• c: 18.1104 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.3 ± 0.3 ų
• Cell temperature: 100.15 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: 0.0271
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No