Information card for entry 4309571

Structure parameters

• Chemical name: mer-trichlorotripyrazoloruthenium(III)
• Formula: C8 H16 Cl2 F6 N12 O2 Ru Sb
• Calculated formula: C8 H16 Cl2 F6 N12 O2 Ru Sb
• Title of publication: Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes
• Authors of publication: Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6704 - 6716
• a: 7.45 ± 0.0015 Å
• b: 7.6149 ± 0.0015 Å
• c: 10.55 ± 0.002 Å
• α: 81.82 ± 0.03°
• β: 88.66 ± 0.03°
• γ: 63.26 ± 0.03°
• Cell volume: 528.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No