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Information card for entry 7044285
Preview
| Coordinates | 7044285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H46 Ce2 N4 O16 |
|---|---|
| Calculated formula | C48 H46 Ce2 N4 O16 |
| Title of publication | A new strongly paramagnetic cerium containing microporous MOF for CO2 fixation under ambient conditions |
| Authors of publication | Das, Sabuj Kanti; Chatterjee, Sauvik; Bhunia, Subhajit; Mondal, Abhishake; Mitra, Partha; Kumari, Vandana; Pradhan, Anirban; Bhaumik, Asim |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 11.4988 ± 0.0012 Å |
| b | 11.5886 ± 0.0012 Å |
| c | 23.465 ± 0.002 Å |
| α | 78.702 ± 0.002° |
| β | 87.143 ± 0.002° |
| γ | 62.144 ± 0.002° |
| Cell volume | 2707.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201059 (current) | 2017-09-20 | cif/ Adding structures of 7044285 via cif-deposit CGI script. |
7044285.cif |
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Users of the data should acknowledge the original authors of the
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