Information card for entry 4312846

Structure parameters

• Formula: C12 H30 Co2 K2 O24
• Calculated formula: C12 H30 Co2 K2 O24
• SMILES: C1(=[O][K]23([OH2])([OH2])[OH2])O[Co]45(OC(=O)C(C1)(CC(=O)O[Co]16(OC(=[O][K]78([OH2])([OH2])[OH2])CC(C(=O)O6)(CC(=O)O4)[OH]1)([OH2]7)[OH2]8)[OH]5)([OH2]2)[OH2]3
• Title of publication: Correlations of Synthetic, Spectroscopic, Structural, and Speciation Studies in the Biologically Relevant Cobalt(II)-Citrate System: The Tale of the First Aqueous Dinuclear Cobalt(II)-Citrate Complex
• Authors of publication: N. Kotsakis; C. P. Raptopoulou; V. Tangoulis; A. Terzis; J. Giapintzakis; T. Jakusch; T. Kiss; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 22 - 31
• a: 10.348 ± 0.005 Å
• b: 11.578 ± 0.006 Å
• c: 12.138 ± 0.006 Å
• α: 90°
• β: 112.62 ± 0.02°
• γ: 90°
• Cell volume: 1342.4 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No