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Information card for entry 7247968
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Coordinates | 7247968.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H22 Cu N6 O8 |
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Calculated formula | C23 H22 Cu N6 O8 |
Title of publication | Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units |
Authors of publication | Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M. |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 5 |
Pages of publication | 647 - 665 |
a | 10.196 ± 0.005 Å |
b | 12.292 ± 0.005 Å |
c | 13.672 ± 0.005 Å |
α | 71.38 ± 0.005° |
β | 73.265 ± 0.005° |
γ | 66.095 ± 0.005° |
Cell volume | 1459.4 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/7247968.html
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Users of the data should acknowledge the original authors of the
structural data.