Information card for entry 7009955

Structure parameters

• Formula: C14 H18 Cl F6 N4 P Ru S3
• Calculated formula: C14 H18 Cl F6 N4 P Ru S3
• SMILES: [P](F)(F)(F)(F)(F)[F-].C1C[S]2CC[S]3[Ru]42(Cl)([S]1CC3)[n]1cccnc1c1[n]4cccn1
• 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: 8.914 ± 0.011 Å
• b: 11.821 ± 0.014 Å
• c: 10.167 ± 0.013 Å
• α: 90°
• β: 101.37 ± 0.01°
• γ: 90°
• Cell volume: 1050 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No