Information card for entry 4302984

Structure parameters

• Formula: C27 H51 Co K O21
• Calculated formula: C27 H51 Co K O21
• SMILES: C12(C[C@H](C([C@@H](C1)O)O)O)[OH][Co]13(OC2=O)([OH]C2(C[C@H](C([C@@H](C2)O)O)O)C(=O)O1)[OH]C1(C[C@H](C([C@@H](C1)O)O)O)C(=O)O3.C(C)O.[K+].C(C)O.C(C)O
• Title of publication: pH-Dependent Syntheses, Structural and Spectroscopic Characterization, and Chemical Transformations of Aqueous Co(II)-Quinate Complexes: An Effort to Delve into the Structural Speciation of the Binary Co(II)-Quinic Acid System
• Authors of publication: M. Menelaou; A. Konstantopai; C. Mateescu; H. Zhao; C. Drouza; N. Lalioti; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8092 - 8105
• a: 15.3148 ± 0.0019 Å
• b: 15.3148 ± 0.0019 Å
• c: 15.3148 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3592 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No