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Information card for entry 2021757
Preview
Coordinates | 2021757.cif |
---|---|
Structure factors | 2021757.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(1<i>H</i>-imidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II) |
---|---|
Formula | C8 H10 Co N4 O6 |
Calculated formula | C8 H10 Co N4 O6 |
SMILES | c1c[nH]c2C(=O)O[Co]3([OH2])([n]12)([OH2])OC(=O)c1[nH]cc[n]31 |
Title of publication | Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids |
Authors of publication | Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 9 |
a | 5.1145 ± 0.0007 Å |
b | 10.6123 ± 0.0012 Å |
c | 10.4179 ± 0.0013 Å |
α | 90° |
β | 97.858 ± 0.01° |
γ | 90° |
Cell volume | 560.14 ± 0.12 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0459 |
Weighted residual factors for all reflections included in the refinement | 0.0478 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.835 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
217821 (current) | 2019-08-29 | cif/ hkl/ Adding structures of 2021754, 2021755, 2021756, 2021757, 2021758 via cif-deposit CGI script. |
2021757.cif 2021757.hkl |
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Users of the data should acknowledge the original authors of the
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