Information card for entry 4305721

Structure parameters

• Chemical name: trans-[Dichloridotetrakis(benzimidazole)ruthenium(III)] chloride methanol diethyl ether solvate
• Formula: C33 H38 Cl3 N8 O2 Os
• Calculated formula: C33 H38 Cl3 N8 O2 Os
• SMILES: [Os](Cl)(Cl)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.OC.O(CC)CC.[Cl-]
• Title of publication: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity In Vitro of Novel Osmium(III) Complexes with Azole Heterocycles
• Authors of publication: Iryna Stepanenko; Artem A. Krokhin; Roland O. John; Alexander Roller; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7338 - 7347
• a: 15.7469 ± 0.0004 Å
• b: 13.6976 ± 0.0004 Å
• c: 16.5585 ± 0.0005 Å
• α: 90°
• β: 93.71 ± 0.002°
• γ: 90°
• Cell volume: 3564.1 ± 0.18 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: 0.0356
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No