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Information card for entry 4340399
Preview
| Coordinates | 4340399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H52 I4 N2 O14 Tl |
|---|---|
| Calculated formula | C24 H48 I4 N2 O14 Tl |
| Title of publication | Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O). |
| Authors of publication | Rieger, Franziska; Mudring, Anja-V |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 25 |
| Pages of publication | 9340 - 9346 |
| a | 21.2306 ± 0.0016 Å |
| b | 21.2306 ± 0.0016 Å |
| c | 21.2306 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9569.4 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 77 K |
| Number of distinct elements | 6 |
| Space group number | 203 |
| Hermann-Mauguin space group symbol | F d -3 :2 |
| Hall space group symbol | -F 2uv 2vw 3 |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179506 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/03. |
4340399.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4340399.cif |
| 119824 | 2014-07-09 | cif/ Adding structures of 4340399 via cif-deposit CGI script. |
4340399.cif |
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Users of the data should acknowledge the original authors of the
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