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Information card for entry 7027495
Preview
| Coordinates | 7027495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Compound 3 |
|---|---|
| Formula | C108 H216 Cs9 Cu24 I33 O54 |
| Calculated formula | C108 H216 Cs9 Cu24 I32.98 O54 |
| Title of publication | Extended multidecker sandwich architecture of Cs±-18-crown-6 complexes stabilized in the environment of novel large iodocuprate(I) clusters obtained from zerovalent copper |
| Authors of publication | Domasevitch, Konstantin V.; Rusanova, Julia A.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Squattrito, Philip J.; Sieler, Joachim; Raithby, Paul R. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 17 |
| Pages of publication | 3087 |
| a | 28.2558 ± 0.0001 Å |
| b | 28.2558 ± 0.0001 Å |
| c | 28.2558 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22559.2 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections | 0.2469 |
| Weighted residual factors for significantly intense reflections | 0.1974 |
| Goodness-of-fit parameter for all reflections | 1.148 |
| Goodness-of-fit parameter for significantly intense reflections | 1.21 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179980 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/74. |
7027495.cif |
| 171444 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic tag values in entries 7008925, 7012223, 7012224, 7027493, 7027494, 7027495. |
7027495.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7027495.cif |
| 95416 | 2014-01-28 | cif/ Adding structures of 7027493, 7027494, 7027495 via cif-deposit CGI script. |
7027495.cif |
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