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Information card for entry 7216254
Preview
| Coordinates | 7216254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4.4 H0 O48 Si24 |
|---|---|
| Calculated formula | C4.428 O48 Si24 |
| Title of publication | Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. |
| Authors of publication | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 15839 - 15845 |
| a | 13.549 ± 0.004 Å |
| b | 20.223 ± 0.006 Å |
| c | 20.059 ± 0.006 Å |
| α | 90° |
| β | 90.103 ± 0.004° |
| γ | 90° |
| Cell volume | 5496 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1353 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180493 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62. |
7216254.cif |
| 121773 | 2014-08-08 | cif/ Updating files of 7216252, 7216253, 7216254, 7216255, 7216256, 7216257, 7216258, 7216259, 7216260, 7216261, 7216262, 7216263, 7216264, 7216265, 7216266, 7216267 Original log message: Adding full bibliography for 7216252--7216267.cif. |
7216254.cif |
| 115067 | 2014-06-02 | cif/ Adding structures of 7216252, 7216253, 7216254, 7216255, 7216256, 7216257, 7216258, 7216259 via cif-deposit CGI script. |
7216254.cif |
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Users of the data should acknowledge the original authors of the
structural data.