Information card for entry 4325896

Structure parameters

• Chemical name: trans-tetrachlorido-bis(benzimidazole)osmium(IV)
• Formula: C14 H12 Cl4 N4 Os
• Calculated formula: C14 H12 Cl4 N4 Os
• SMILES: c1[n](c2c(cccc2)[nH]1)[Os](Cl)([n]1c[nH]c2ccccc12)(Cl)(Cl)Cl
• Title of publication: En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]
• Authors of publication: Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7690 - 7697
• a: 9.8508 ± 0.0003 Å
• b: 12.1309 ± 0.0004 Å
• c: 6.9496 ± 0.0002 Å
• α: 90°
• β: 108.036 ± 0.002°
• γ: 90°
• Cell volume: 789.66 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No