Information card for entry 7706269

Structure parameters

• Chemical name: [(1,3,5-Triaza-7-phosphaadamantane-κP)(1-benzyl-2-methyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η6-p-cymene)ruthenium(II)] hexafluorophosphate
• Formula: C31 H42 Cl4 F6 N4 O P2 Ru S
• Calculated formula: C31 H42 Cl4 F6 N4 O P2 Ru S
• Title of publication: Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.
• Authors of publication: Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15693 - 15711
• a: 12.3099 ± 0.0003 Å
• b: 12.4123 ± 0.0004 Å
• c: 14.4636 ± 0.0004 Å
• α: 65.2024 ± 0.0011°
• β: 70.4638 ± 0.0011°
• γ: 77.004 ± 0.0011°
• Cell volume: 1881.42 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No