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Information card for entry 7038278
Preview
Coordinates | 7038278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H52 Cu2 N10 Na2 O16 |
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Calculated formula | C52 H52 Cu2 N10 Na2 O16 |
SMILES | c1ccnc2[n]1[Cu]1(OC(=O)CCc3ccccc3)([n]3c2nccc3)[O]([Cu]2([n]3c(c4[n]2cccn4)nccc3)(OC(=O)CCc2ccccc2)[O]1C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.[Na+].[O-]N(=O)=O.N([O-])(=O)=O.[Na+].O.O |
Title of publication | Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands. |
Authors of publication | de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 45 |
Journal issue | 1 |
Pages of publication | 172 - 189 |
a | 10.024 ± 0.005 Å |
b | 10.824 ± 0.005 Å |
c | 12.846 ± 0.005 Å |
α | 97.185 ± 0.005° |
β | 90.782 ± 0.005° |
γ | 104.175 ± 0.005° |
Cell volume | 1339.3 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0816 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1319 |
Weighted residual factors for all reflections included in the refinement | 0.1519 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/7038278.html
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