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CIF Information Card
Information card for 4114576
4114575 << 4114576 >> 4114577Preview
|
Coordinates |
4114576.cif |
Structure parameters
| Formula | - C40 H70 Br2 Cu2 N8 O20 - |
| Calculated formula | - C22 Br2 Cu2 N2 O14.6667 - |
| Title of publication | Cu2[o-Br-C6H3(CO2)2]2(H2O)2.(DMF)8(H2O)2: A Framework Deliberately Designed To Have the NbO Structure Type |
| Authors of publication | Mohamed Eddaoudi; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 376 - 377 |
| a | 21.607 ± 0.003 Å |
| b | 21.607 ± 0.003 Å |
| c | 21.607 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10087 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | I m -3 m |
| Hall symmetry space group | -I 4 2 3 |
| Residual factor for all reflections | 0.1693 |
| Residual factor for observed reflections | 0.0788 |
| Weighted residual factors for the observed reflections | 0.2215 |
| Weighted residual factors for all reflections included in the refinement | 0.284 |
| Goodness-of-fit parameter for observed reflections | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |