Information card for entry 4326906

Structure parameters

• Chemical name: (hapto^6^-p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- pyrazolo-kappaN-[3,4-b]pyridin-1-ide}chlroridoruthenium(II)
• Formula: C25 H25 Br Cl N5 O Ru
• Calculated formula: C25 H25 Br Cl N5 O Ru
• Title of publication: Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents
• Authors of publication: Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11715 - 11728
• a: 16.7948 ± 0.0013 Å
• b: 12.4936 ± 0.001 Å
• c: 12.3028 ± 0.0008 Å
• α: 90°
• β: 108.744 ± 0.005°
• γ: 90°
• Cell volume: 2444.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1523
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No