Information card for entry 4325894

Structure parameters

• Chemical name: trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)-cucurbit[7]uril hydrate
• Formula: C48 H72.5 Cl4 N32 O25.25 Os
• Calculated formula: C48 H58 Cl4 N32 O25.25 Os
• 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: 31.5673 ± 0.0009 Å
• b: 16.9392 ± 0.0006 Å
• c: 14.3896 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7694.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No