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Information card for entry 4349678
Preview
| Coordinates | 4349678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H13 Cu2 N O12 |
|---|---|
| Calculated formula | C22 H6 Cu2 N O12 |
| Title of publication | A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks |
| Authors of publication | Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 960 |
| a | 18.555 ± 0.003 Å |
| b | 18.555 ± 0.003 Å |
| c | 38.688 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11535 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235734 (current) | 2019-11-24 | cif/ Adding structures of 4349677, 4349678, 4349679, 4349680, 4349681 via cif-deposit CGI script. |
4349678.cif |
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Users of the data should acknowledge the original authors of the
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