Information card for entry 4326910

Structure parameters

• Chemical name: (hapto^6^-p-cymene){3-(1H-benzimidazol-kappaN-2-yl)-1H-pyrazolo- kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride tetrahydrate
• Formula: C23 H31 Cl2 N5 O4 Os
• Calculated formula: C23 H31 Cl2 N5 O4 Os
• SMILES: [Os]123456(Cl)([n]7nc8[nH]cccc8c7c7[nH]c8ccccc8[n]17)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[Cl-].O.O.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: 19.2075 ± 0.0013 Å
• b: 7.789 ± 0.0005 Å
• c: 17.0807 ± 0.0011 Å
• α: 90°
• β: 99.334 ± 0.004°
• γ: 90°
• Cell volume: 2521.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No