Information card for entry 7009954

Structure parameters

• Formula: C16 H21 Cl F6 N3 P Ru S3
• Calculated formula: C16 H21 Cl F6 N3 P Ru S3
• SMILES: [P](F)(F)(F)(F)(F)[F-].C1C[S]2CC[S]3[Ru]42(Cl)([S]1CC3)[n]1ccccc1Nc1cccc[n]41
• 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: 7.698 ± 0.011 Å
• b: 15.134 ± 0.017 Å
• c: 19.061 ± 0.023 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2221 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No