Information card for entry 2230101

Structure parameters

• Chemical name: [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane monosolvate
• Formula: C23 H29 Cl3 F6 N3 P Ru
• Calculated formula: C23 H29 Cl3 F6 N3 P Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7Nc7[n]1cccc7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate
• Authors of publication: Gupta, Gajendra; Therrien, Bruno; Kim, Jinkwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m548
• a: 15.5241 ± 0.0004 Å
• b: 9.1644 ± 0.0002 Å
• c: 18.9108 ± 0.0005 Å
• α: 90°
• β: 93.621 ± 0.001°
• γ: 90°
• Cell volume: 2685.05 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes