Information card for entry 4326911

Structure parameters

• Chemical name: (hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoruthenium(II) chloride- (hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- -pyrazolo-kappaN-[3,4-b]pyridin-1-ide}chloridoruthenium(II) methanol solvate
• Formula: C51 H55 Br2 Cl3 N10 O3 Ru2
• Calculated formula: C51 H55 Br2 Cl3 N10 O3 Ru2
• 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: 9.9942 ± 0.0009 Å
• b: 15.437 ± 0.0013 Å
• c: 17.8076 ± 0.0017 Å
• α: 104.38 ± 0.005°
• β: 93.139 ± 0.005°
• γ: 98.859 ± 0.004°
• Cell volume: 2617.1 ± 0.4 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: 0.0961
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No