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CIF Information Card
Information card for 4107281
4107280 << 4107281 >> 4107282Preview
|
Coordinates |
4107281.cif |
Structure parameters
| Formula | - C124 H108 Cu2 N4 O20 P4 - |
| Calculated formula | - C124 H92 Cu2 N4 O20 P4 - |
| Title of publication | Structure and Magnetism of Dinuclear Copper(II) Metallacyclophanes with Oligoacenebis(oxamate) Bridging Ligands: Theoretical Predictions on Wirelike Magnetic Coupling |
| Authors of publication | Emilio Pardo; Rosa Carrasco; Rafael Ruiz-García; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Yves Journaux; Eliseo Ruiz; Joan Cano |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 576 - 585 |
| a | 16.024 ± 0.005 Å |
| b | 24.939 ± 0.003 Å |
| c | 16.859 ± 0.003 Å |
| α | 90° |
| β | 113.376 ± 0.019° |
| γ | 90° |
| Cell volume | 6184 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1857 |
| Residual factor for observed reflections | 0.0865 |
| Weighted residual factors for the observed reflections | 0.217 |
| Weighted residual factors for all reflections included in the refinement | 0.2693 |
| Goodness-of-fit parameter for observed reflections | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |