Information card for entry 2019111

Structure parameters

• Chemical name: (η^6^-<i>p</i>-Cymene)(difluorophosphinato-κ<i>O</i>){2-[(<i>1</i>H-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}ruthenium(II) hexafluorophosphate tetrafluoroborate (1/0.86/0.14)
• Formula: C19 H23 B0.15 F7.71 N3 O2 P1.85 Ru
• Calculated formula: C19 H23 B0.146 F7.708 N3 O2 P1.854 Ru
• Title of publication: Positional and compositional disorder in a ruthenium(II) piano-stool complex
• Authors of publication: Guzei, Ilia A.; Dolinar, Brian S.; Khumalo, Nozipho; Darkwa, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 847 - 850
• a: 15.6531 ± 0.0017 Å
• b: 8.7619 ± 0.0009 Å
• c: 17.4895 ± 0.0018 Å
• α: 90°
• β: 106.316 ± 0.005°
• γ: 90°
• Cell volume: 2302.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0279
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes