Information card for entry 7033375

Structure parameters

• Chemical name: Tetrabutylammonium trans-[tetrachloridobis(1-ethylindazole)ruthenate]acetone solvate
• Formula: C40 H68 Cl4 N5 O2 Ru
• Calculated formula: C40 H68 Cl4 N5 O2 Ru
• Title of publication: Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.
• Authors of publication: Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 659 - 668
• a: 12.352 ± 0.0017 Å
• b: 24.58 ± 0.002 Å
• c: 14.773 ± 0.002 Å
• α: 90°
• β: 102.934 ± 0.002°
• γ: 90°
• Cell volume: 4371.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No