Information card for entry 4318763

Structure parameters

• Formula: C44 H59 Cl Cr N3 O10
• Calculated formula: C44 H54 Cl Cr N3 O10
• SMILES: [Cr]123([OH2])(Oc4c(O1)cc(cc4C(C)(C)C)C(C)(C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[O-]Cl(=O)(=O)=O.Oc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C.OC
• 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: 12.106 ± 0.004 Å
• b: 15.625 ± 0.005 Å
• c: 24.315 ± 0.008 Å
• α: 90°
• β: 100.984 ± 0.004°
• γ: 90°
• Cell volume: 4515 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No