Information card for entry 7706268

Structure parameters

• Chemical name: [(1,3,5-Triaza-7-phosphaadamantane-κP)(1,2-Dimethyl-3-oxo-κO-pyridine-4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)]hexafluorophosphate
• Formula: C23 H34.5 F6 N4 O P2 Rh S
• Calculated formula: C23 H34.5 F6 N4 O P2 Rh 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: 21.07 ± 0.003 Å
• b: 9.9943 ± 0.0014 Å
• c: 31.846 ± 0.004 Å
• α: 90°
• β: 99.318 ± 0.005°
• γ: 90°
• Cell volume: 6617.6 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No