Information card for entry 4326909

Structure parameters

• Chemical name: (hapto^6^-p-cymene){3-(1H-benzimidazol-kappaN-2-yl)-5-bromo- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride dimethanol dihydrate
• Formula: C25 H34 Br Cl2 N5 O4 Os
• Calculated formula: C25 H34 Br Cl2 N5 O4 Os
• SMILES: [Os]123456(Cl)([n]7[nH]c8ncc(Br)cc8c7c7[nH]c8ccccc8[n]17)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-].OC.OC.O.O
• 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: 8.4014 ± 0.0008 Å
• b: 13.1678 ± 0.0014 Å
• c: 13.7997 ± 0.0016 Å
• α: 81.446 ± 0.004°
• β: 81.191 ± 0.005°
• γ: 76.887 ± 0.005°
• Cell volume: 1458.9 ± 0.3 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: 0.0386
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No