Information card for entry 2311110

Structure parameters

• Chemical name: <i>trans</i>-Chloridobis(4-methylpyridine-κ<i>N</i>)(4,4',4''-tri-<i>tert</i>- butyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluoridophosphate acetone monosolvate
• Formula: C42 H55 Cl F6 N5 O P Ru
• Calculated formula: C42 H55 Cl F6 N5 O P Ru
• Title of publication: trans-Chloridobis(4-methyl-pyridine-κN)(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) hexa-fluoridophosphate acetone monosolvate.
• Authors of publication: Redford, Christopher; Gimbert-Suriñach, Carolina; Bhadbhade, Mohan; Colbran, Stephen B.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2012
• Journal volume: 68
• Journal issue: Pt 3
• Pages of publication: m300
• a: 16.4041 ± 0.0009 Å
• b: 12.7834 ± 0.0006 Å
• c: 21.9468 ± 0.0011 Å
• α: 90°
• β: 107.865 ± 0.003°
• γ: 90°
• Cell volume: 4380.3 ± 0.4 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 8
• 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: 0.1446
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No