Information card for entry 4318765

Structure parameters

• Formula: C21 H19 Cl Cr N3 O8
• Calculated formula: C21 H15 Cl Cr N3 O8
• SMILES: [Cr]123([OH2])(Oc4c(O1)cccc4)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes
• Authors of publication: Kazushi Shiren; Koji Tanaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5912 - 5919
• a: 24.764 ± 0.002 Å
• b: 13.3 ± 0.001 Å
• c: 13.915 ± 0.001 Å
• α: 90°
• β: 108.408 ± 0.003°
• γ: 90°
• Cell volume: 4348.6 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.887
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No