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Information card for entry 2014710
Preview
Coordinates | 2014710.cif |
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Original IUCr paper | HTML |
Chemical name | trans-Diaquabis(6-hydroxypicolinato-κ^2^N,O^2^)copper(II) |
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Formula | C12 H12 Cu N2 O8 |
Calculated formula | C12 H12 Cu N2 O8 |
SMILES | c12cccc([n]2[Cu]2(OC1=O)([OH2])([n]1c(cccc1O)C(=O)O2)[OH2])O |
Title of publication | <i>trans</i>-Diaquabis(6-hydroxypicolinato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II) |
Authors of publication | S̨engül, Abdurrahman; Büyükgüngör, Orhan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 3 |
Pages of publication | m119 - m121 |
a | 6.1036 ± 0.0008 Å |
b | 7.2946 ± 0.0011 Å |
c | 8.5571 ± 0.0013 Å |
α | 99.605 ± 0.012° |
β | 92.776 ± 0.012° |
γ | 113.758 ± 0.011° |
Cell volume | 340.98 ± 0.09 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections included in the refinement | 0.0707 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014710.html
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