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Information card for entry 7243977
Preview
| Coordinates | 7243977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 Ca2 N4 O10 |
|---|---|
| Calculated formula | C22 H20 Ca2 N4 O10 |
| Title of publication | Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent |
| Authors of publication | Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 3 |
| Pages of publication | 601 - 608 |
| a | 7.0098 ± 0.0002 Å |
| b | 10.9304 ± 0.0003 Å |
| c | 16.616 ± 0.0005 Å |
| α | 92.618 ± 0.001° |
| β | 99.659 ± 0.001° |
| γ | 102.704 ± 0.001° |
| Cell volume | 1219.82 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272636 (current) | 2022-02-04 | cif/ Updating files of 7243973, 7243974, 7243975, 7243976, 7243977, 7243978 Original log message: Adding full bibliography for 7243973--7243978.cif. |
7243977.cif |
| 270947 | 2021-12-01 | cif/ Adding structures of 7243973, 7243974, 7243975, 7243976, 7243977, 7243978 via cif-deposit CGI script. |
7243977.cif |
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Users of the data should acknowledge the original authors of the
structural data.