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Information card for entry 2212178
Preview
Coordinates | 2212178.cif |
---|---|
Structure factors | 2212178.hkl |
Original IUCr paper | HTML |
Chemical name | dipotassium μ-oxo-bis[aqua(oxalato-κ^2^O,O')dioxomolybdenum(VI)] |
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Formula | C4 H4 K2 Mo2 O15 |
Calculated formula | C4 H4 K2 Mo2 O15 |
SMILES | C1(=O)C(=O)O[Mo](=O)(=O)(O1)(O[Mo]1(=O)(=O)(OC(=O)C(=O)O1)[OH2])[OH2].[K+].[K+] |
Title of publication | Redetermination of dipotassium μ-oxo-bis[aqua(oxalato-κ^2^<i>O</i>,<i>O</i>')dioxomolybdate(VI)] at 150 K |
Authors of publication | Cunha-Silva, Luis; Monteiro, Bernardo; Pillinger, Martyn; Gonçalves, Isabel S.; Rocha, João; Almeida Paz, Filipe A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m376 - m378 |
a | 7.4774 ± 0.0002 Å |
b | 14.2242 ± 0.0003 Å |
c | 6.5726 ± 0.0001 Å |
α | 90° |
β | 94.284 ± 0.001° |
γ | 90° |
Cell volume | 697.11 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0204 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2212178.html
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Users of the data should acknowledge the original authors of the
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