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Information card for entry 7244994
Preview
| Coordinates | 7244994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16.61 H102.08 Cl N O33.04 |
|---|---|
| Calculated formula | C16.6111 H85.293 Cl1.026 N O34.2641 |
| Title of publication | Structural CO2 capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride |
| Authors of publication | Muromachi, Sanehiro; Takeya, Satoshi; Alavi, Saman; Ripmeester, John A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 23.557 ± 0.003 Å |
| b | 23.557 ± 0.003 Å |
| c | 12.4259 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6895.5 ± 1.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 84 |
| Hermann-Mauguin space group symbol | P 42/m |
| Hall space group symbol | -P 4c |
| Residual factor for all reflections | 0.0877 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275672 (current) | 2022-05-28 | cif/ Adding structures of 7244994 via cif-deposit CGI script. |
7244994.cif |
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Users of the data should acknowledge the original authors of the
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