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Information card for entry 7063784
Preview
| Coordinates | 7063784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H30 Ca3 O24 |
|---|---|
| Calculated formula | C18 H30 Ca3 O24 |
| Title of publication | Rapid Synthesis of MOF CaBTC using an ultrasonic irradiation method and its derivative materials for CO2 capture |
| Authors of publication | Jin, Xiaoqi; Li, Zong-Qun; Ge, Jinlong; Zhu, Linlin; Liu, Caiyan; Li, Qiu; Liu, Jing; Yin, Chenlin; Su, Gaoyu |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 6.7257 ± 0.0001 Å |
| b | 20.8422 ± 0.0004 Å |
| c | 20.1942 ± 0.0004 Å |
| α | 90° |
| β | 99.507 ± 0.001° |
| γ | 90° |
| Cell volume | 2791.91 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299539 (current) | 2025-05-06 | cif/ Adding structures of 7063784 via cif-deposit CGI script. |
7063784.cif |
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Users of the data should acknowledge the original authors of the
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