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Information card for entry 4115681
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Coordinates | 4115681.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ITQ4 |
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Formula | C28 H34 F2 N2 O66 Si32 |
Calculated formula | C28 H34 F2 N2 O66 Si32 |
Title of publication | The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media |
Authors of publication | Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 8797 - 8805 |
a | 18.51 ± 0.003 Å |
b | 13.4478 ± 0.0018 Å |
c | 7.6928 ± 0.001 Å |
α | 90° |
β | 101.552 ± 0.003° |
γ | 90° |
Cell volume | 1876.1 ± 0.5 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 6 |
Space group number | 8 |
Hermann-Mauguin space group symbol | I 1 m 1 |
Hall space group symbol | I -2y |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1316 |
Weighted residual factors for all reflections included in the refinement | 0.135 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.6994 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178927 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56. |
4115681.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115681.cif |
69402 | 2012-12-14 | cif/ Adding structures of 4115681 via cif-deposit CGI script. |
4115681.cif |
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Users of the data should acknowledge the original authors of the
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