Information card for entry 4319539

Structure parameters

• Formula: C20 H20 Cr2 Cu N4 O7
• Calculated formula: C20 H20 Cr2 Cu N4 O7
• SMILES: [Cu](O[Cr](=O)(=O)O[Cr](=O)(=O)=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Polar Compounds Constructed with the [Cr2O7]2- Anion
• Authors of publication: Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2015 - 2019
• a: 15.927 ± 0.002 Å
• b: 16.311 ± 0.002 Å
• c: 8.8513 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.4 ± 0.5 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 2.768
• Goodness-of-fit parameter for all reflections included in the refinement: 2.77
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No