Information card for entry 4030340

Structure parameters

• Formula: C4 H6 N2 O7 Re2
• Calculated formula: C4 N2 O7 Re2
• SMILES: [N](#CC)[Re](O[Re](=O)(=O)=O)([N]#CC)(=O)(=O)=O
• Title of publication: Synthesis and crystal structure of Re2O7.2CH3CN
• Authors of publication: Roesky, H. W.; Hesse, D.; Noltemeyer, M.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1991
• Journal volume: 28
• Pages of publication: 809 - 814
• a: 5.419 ± 0.001 Å
• b: 11.729 ± 0.004 Å
• c: 8.373 ± 0.002 Å
• α: 90°
• β: 94.5 ± 0.02°
• γ: 90°
• Cell volume: 530.5 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No