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Information card for entry 7219326
Preview
Coordinates | 7219326.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H48 Cu2 N6 O21 |
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Calculated formula | C38 H48 Cu2 N6 O21 |
SMILES | [Cu]123(OC(=O)c4[n]2c(c2[n]5[Cu]6(OC(=O)c5ccc2OC)(OC(=O)c2[n]6c(c5[n]3c(C(=O)O1)ccc5OC)c(OC)cc2)[n]1ccccc1)c(OC)cc4)[n]1ccccc1.O.O.O.O.O.O.O.O.O |
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 | 12.1868 ± 0.0013 Å |
b | 12.4222 ± 0.0013 Å |
c | 15.4307 ± 0.0016 Å |
α | 77.399 ± 0.001° |
β | 88.583 ± 0.001° |
γ | 85.884 ± 0.001° |
Cell volume | 2273.8 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0559 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0981 |
Weighted residual factors for all reflections included in the refinement | 0.1078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/7219326.html
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