Information card for entry 7048517

Structure parameters

• Formula: C43.49 H35.63 B Cl0.34 Cu F4 N2 O1.33 P2 S3
• Calculated formula: C43.487 H35.632 B Cl0.342 Cu F4 N2 O1.329 P2 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: 13.0385 ± 0.0009 Å
• b: 44.59 ± 0.003 Å
• c: 14.4382 ± 0.0008 Å
• α: 90°
• β: 94.266 ± 0.002°
• γ: 90°
• Cell volume: 8370.9 ± 0.9 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No