Information card for entry 7009958

Structure parameters

• Formula: C30 H28 B Cl F4 N2 Ru S3
• Calculated formula: C30 H28 B Cl F4 N2 Ru S3
• SMILES: [Ru]123(Cl)([S]4CC[S]1CC[S]2CC4)[n]1ccc(c2ccc4c(cc[n]3c4c12)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Structural characterisation of new RuII[9]aneS3 polypyridylic complexes †
• Authors of publication: Madureira, João; Santos, Teresa M.; Goodfellow, Brian J.; Lucena, Mónica; Pedrosa de Jesus, Júlio; Santana-Marques, Maria G.; Drew, Michael G. B.; Félix, Vítor
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4422
• a: 8.158 ± 0.01 Å
• b: 15.575 ± 0.017 Å
• c: 24.244 ± 0.026 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3080 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No