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Information card for entry 7235395
Preview
Coordinates | 7235395.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H14 Cu N4 O7 |
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Calculated formula | C12 H14 Cu N4 O7 |
Title of publication | On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views |
Authors of publication | Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 27 |
Pages of publication | 6149 |
a | 11.986 ± 0.002 Å |
b | 7.6602 ± 0.0014 Å |
c | 15.75 ± 0.003 Å |
α | 90° |
β | 94.123 ± 0.003° |
γ | 90° |
Cell volume | 1442.3 ± 0.5 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 | 0.0352 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7235395.html
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