Information card for entry 4312847

Structure parameters

• Formula: C12 H30 Co2 Na2 O24
• Calculated formula: C12 H30 Co2 Na2 O24
• SMILES: C1(=O)O[Co]23(OC(=O)C(C1)(CC(=O)O[Co]14(OC(=O)CC(C(=O)O4)(CC(=O)O3)[OH]1)([OH2])[OH2])[OH]2)([OH2])[OH2].O.O.O.[Na+].[Na+].O.O.O
• 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: 9.234 ± 0.004 Å
• b: 11.913 ± 0.006 Å
• c: 11.728 ± 0.006 Å
• α: 90°
• β: 99.93 ± 0.02°
• γ: 90°
• Cell volume: 1270.8 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No