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Information card for entry 4000081
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| Coordinates | 4000081.cif |
|---|
| Formula | C29 H18 Cl2 Cu N6 O6 |
|---|---|
| Calculated formula | C29 H18 Cl2 Cu N6 O6 |
| Title of publication | Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne |
| Authors of publication | Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| a | 14.3826 ± 0.0013 Å |
| b | 22.7555 ± 0.0019 Å |
| c | 8.9757 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2937.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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