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Information card for entry 7219327
Preview
Coordinates | 7219327.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H10 Cu N2 O8 |
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Calculated formula | C12 H10 Cu N2 O8 |
SMILES | [Cu]12([n]3c(c4[n]c(ccc4O1)C(=O)O)c(O)ccc3C(=O)O2)([OH2])[OH2] |
Title of publication | In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties |
Authors of publication | Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 8 |
Pages of publication | 1871 |
a | 4.785 ± 0.007 Å |
b | 9.33 ± 0.014 Å |
c | 14.53 ± 0.02 Å |
α | 89.807 ± 0.016° |
β | 81.067 ± 0.016° |
γ | 77.496 ± 0.016° |
Cell volume | 625.3 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0324 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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