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Information card for entry 7245181
Preview
| Coordinates | 7245181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H70 Cu3 Gd2 N4 O27 |
|---|---|
| Calculated formula | C34 H70 Cu3 Gd2 N4 O27 |
| Title of publication | A new {Cu3–Gd2} cluster as a two-in-one functional material with unique topology acting as a refrigerant and adsorbent for cationic dye |
| Authors of publication | Qasem, Khalil M. A.; Khan, Shabnam; Fitta, Magdalena; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Shahid, M.; Saleh, Hatem A. M.; Ahmad, Musheer |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 11.9919 ± 0.0004 Å |
| b | 18.7337 ± 0.0006 Å |
| c | 13.067 ± 0.0004 Å |
| α | 90° |
| β | 108.872 ± 0.001° |
| γ | 90° |
| Cell volume | 2777.73 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0554 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276821 (current) | 2022-07-23 | cif/ Adding structures of 7245181 via cif-deposit CGI script. |
7245181.cif |
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