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Information card for entry 4319690
Preview
| Coordinates | 4319690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H20.5 F N2.5 O2 Si |
|---|---|
| Calculated formula | C12.99 H20.47 F N2.49 O2 Si |
| Title of publication | Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution |
| Authors of publication | Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2520 - 2527 |
| a | 12.693 ± 0.003 Å |
| b | 5.7643 ± 0.0012 Å |
| c | 20.933 ± 0.004 Å |
| α | 90° |
| β | 91.05 ± 0.03° |
| γ | 90° |
| Cell volume | 1531.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319690.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319690.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319690.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319690.cif |
| 16491 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319690 via cif-deposit CGI script. |
4319690.cif |
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Users of the data should acknowledge the original authors of the
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