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Information card for entry 1508422
Preview
| Coordinates | 1508422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Bi I5 O5 |
|---|---|
| Calculated formula | C14 H20 Bi I5 O5 |
| SMILES | C1C[O]2CC[O]3CC[O]4CC[O]5c6ccccc6[O]1[Bi]2345(I)(I)I.II |
| Title of publication | (B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains |
| Authors of publication | Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd |
| Journal of publication | Crystals |
| Year of publication | 2012 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | 220 - 228 |
| a | 13.7685 ± 0.001 Å |
| b | 11.7274 ± 0.0012 Å |
| c | 17.0023 ± 0.0017 Å |
| α | 90° |
| β | 115.197 ± 0.006° |
| γ | 90° |
| Cell volume | 2484.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508422.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1508422.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508422.cif |
| 69142 | 2012-12-03 | cif/ Adding structures of 1508422 via cif-deposit CGI script. |
1508422.cif |
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Users of the data should acknowledge the original authors of the
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