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Information card for entry 7059197
Preview
Coordinates | 7059197.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H19 Cu2 N4 O9.5 |
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Calculated formula | C13 H19 Cu2 N4 O9.5 |
Title of publication | Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations |
Authors of publication | Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 6 |
Pages of publication | 2597 - 2608 |
a | 21.475 ± 0.005 Å |
b | 6.751 ± 0.005 Å |
c | 25.546 ± 0.005 Å |
α | 90° |
β | 111.423 ± 0.005° |
γ | 90° |
Cell volume | 3448 ± 3 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0917 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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