Information card for entry 7001117

Structure parameters

• Common name: Bis(diammine)(hapto$6!-p-cymene)chlorido-ruthenium(ii) hexafluorophosphate
• Chemical name: Bis(diammine)(hapto^6^-p-cymene)chlorido- ruthenium(II) hexafluorophosphate
• Formula: C10 H20 Cl F6 N2 P Ru
• Calculated formula: C10 H20 Cl F6 N2 P Ru
• SMILES: [Ru]12345(Cl)([NH3])([NH3])[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, X-ray diffraction structure, spectroscopic properties and antiproliferative activity of a novel ruthenium complex with constitutional similarity to cisplatin
• Authors of publication: Grguric-Sipka, Sanja; Stepanenko, Iryna N.; Lazic, Jelena M.; Bartel, Caroline; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3334 - 3339
• a: 8.0544 ± 0.0002 Å
• b: 8.8166 ± 0.0002 Å
• c: 11.2876 ± 0.0003 Å
• α: 87.861 ± 0.002°
• β: 88.256 ± 0.002°
• γ: 78.272 ± 0.002°
• Cell volume: 784.07 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No