Information card for entry 4320942

Structure parameters

• Chemical name: Tetrabutylammonium Bis(malonato)dioxo-osmate(VI)
• Formula: C38 H76 N2 O10 Os
• Calculated formula: C38 H76 N2 O10 Os
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.O1[Os]2(=O)(=O)(OC(=O)CC1=O)OC(=O)CC(=O)O2.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: The Lowest-Energy Ligand to Metal Charge-Transfer Absorption Band of trans-[OsO2(Malonate)2]2-
• Authors of publication: Sandrine Stanislas; André L. Beauchamp; Christian Reber
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2152 - 2155
• a: 9.667 ± 0.003 Å
• b: 18.264 ± 0.008 Å
• c: 13.163 ± 0.006 Å
• α: 90°
• β: 102.41 ± 0.03°
• γ: 90°
• Cell volume: 2269.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections: 0.803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No