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Information card for entry 7229033
Preview
Coordinates | 7229033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H42 Cu2 N14 O15 |
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Calculated formula | C48 H42 Cu2 N14 O15 |
SMILES | [Cu]123([n]4ccccc4C(=O)N1C(=O)c1[n]2cccc1)[n]1ccccc1c1[n]3c(c2ncccc2)c2[n]([Cu]34([n]5c2cccc5)[n]2c(C(=O)N3C(=O)c3[n]4cccc3)cccc2)c1c1ncccc1.O.O.O.O.O.O=N(=O)[O-].O=N(=O)[O-] |
Title of publication | Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp) |
Authors of publication | Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V. |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 22.185 ± 0.004 Å |
b | 18.725 ± 0.004 Å |
c | 23.73 ± 0.005 Å |
α | 90° |
β | 102.68 ± 0.03° |
γ | 90° |
Cell volume | 9617 ± 4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0665 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7229033.html
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