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Information card for entry 2310157
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| Coordinates | 2310157.cif |
|---|---|
| Structure factors | 2310157.hkl |
| Original IUCr paper | HTML |
| Formula | C0.6 O49.2 Si24 |
|---|---|
| Calculated formula | C0.591 O49.182 Si24 |
| Title of publication | Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis |
| Authors of publication | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu |
| Journal of publication | Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 112 - 118 |
| a | 13.388 ± 0.002 Å |
| b | 20.132 ± 0.003 Å |
| c | 19.902 ± 0.003 Å |
| α | 90° |
| β | 90.04 ± 0.002° |
| γ | 90° |
| Cell volume | 5364.1 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1617 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201406 (current) | 2017-09-28 | cif/2/31/01/ Updating bibliography in entries 2310154-2310163. |
2310157.cif 2310157.hkl |
| 181921 | 2016-04-06 | hkl/2/31/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/31/01 |
2310157.cif 2310157.hkl |
| 181327 | 2016-04-03 | hkl/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/31. |
2310157.cif 2310157.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2310157.cif 2310157.hkl |
| 130885 | 2015-02-04 | cif/ hkl/ Adding structures of 2310155, 2310156, 2310157, 2310158, 2310159, 2310160, 2310161, 2310162 via cif-deposit CGI script. |
2310157.cif 2310157.hkl |
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Users of the data should acknowledge the original authors of the
structural data.