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Information card for entry 4513371
Preview
| Coordinates | 4513371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H96.2 O30.6 P |
|---|---|
| Calculated formula | C16 H60 O30.608 P |
| Title of publication | Phase Behavior and Structural Characterization of Ionic Clathrate Hydrate Formed with Tetra-n-butylphosphonium Hydroxide: Discovery of Primitive Crystal Structure |
| Authors of publication | Kobori, Takayuki; Muromachi, Sanehiro; Yamasaki, Tatsuro; Takeya, Satoshi; Yamamoto, Yoshitaka; Alavi, Saman; Ohmura, Ryo |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3862 |
| a | 24.5191 ± 0.0013 Å |
| b | 24.5191 ± 0.0013 Å |
| c | 24.5191 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14740.5 ± 1.4 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1883 |
| Weighted residual factors for all reflections included in the refinement | 0.2075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513371.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513371.cif |
| 154544 | 2015-09-05 | cif/ Updating files of 4513371 Original log message: Adding full bibliography for 4513371.cif. |
4513371.cif |
| 140541 | 2015-07-07 | cif/ Adding structures of 4513371 via cif-deposit CGI script. |
4513371.cif |
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Users of the data should acknowledge the original authors of the
structural data.