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Information card for entry 4312846
Preview
Coordinates | 4312846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H30 Co2 K2 O24 |
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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 Å3 |
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 |
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