Information card for entry 2222012

Structure parameters

• Common name: CpRu(η^6^-mes-NH~2~).PF6
• Chemical name: (η^5^-Cyclopentadienyl)(η^6^-mesitylamine)ruthenium(II) hexafluoridophosphate
• Formula: C14 H18 F6 N P Ru
• Calculated formula: C14 H18 F6 N P Ru
• SMILES: [Ru]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)[c]1([c]5([cH]6[c]7([cH]8[c]91C)C)C)N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η^5^-Cyclopentadienyl)(η^6^-mesitylamine)ruthenium(II) hexafluoridophosphate
• Authors of publication: Becker, Eva; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m631
• a: 7.5119 ± 0.0004 Å
• b: 10.2047 ± 0.0006 Å
• c: 21.1818 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.73 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0242
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes