Information card for entry 4318764

Structure parameters

• Formula: C30 H39 Cl2 Cr N3 O13
• Calculated formula: C30 H34 Cl2 Cr N3 O13
• SMILES: [Cr]123([OH2])([OH]c4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.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: 22.058 ± 0.002 Å
• b: 13.3259 ± 0.0009 Å
• c: 12.4739 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3666.6 ± 0.5 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.605
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No