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Information card for entry 7026981
Preview
| Coordinates | 7026981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H44 I2 N2 Na2 O9 |
|---|---|
| Calculated formula | C10 H23 I N Na O4.5 |
| Title of publication | Substituted diazacrown ethers. Synthesis, spectral characterization and single-crystal structures of C20H42N2O8(NaI)2·H2O and C20H42N2O8(KI)2·H2O |
| Authors of publication | Kılıç, Zeynel; Yıldız, Mustafa; Hökelek, Tuncer; Erdoǧan, Baki |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 21 |
| Pages of publication | 3635 |
| a | 15.798 ± 0.001 Å |
| b | 11.148 ± 0.001 Å |
| c | 17.643 ± 0.001 Å |
| α | 90° |
| β | 100.79 ± 0.01° |
| γ | 90° |
| Cell volume | 3052.3 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for significantly intense reflections | 1.61 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282214 (current) | 2023-04-03 | cif/ Corrected the format of changelog entry dates in several entries. |
7026981.cif |
| 277805 | 2022-09-13 | cif/7/02/69/ (saulius@tasmanijos-velnias) Chaning the '_cod_depositor_comments' data item to the loop containing the COD_ENTRY_ISSUE category. |
7026981.cif |
| 277791 | 2022-09-13 | cif/7/02/69/ (saulius@tasmanijos-velnias) Moving depositor comments about performed changes to the COD_CHANGELOG_ENTRY category loop. |
7026981.cif |
| 277790 | 2022-09-13 | cif/7/02/69/ (saulius@tasmanijos-velnias) Fixing "starred" values of isotropically refined thermal displacement parameters. |
7026981.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7026981.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. |
7026981.cif |
| 94895 | 2014-01-28 | cif/ Adding structures of 7026981, 7026982 via cif-deposit CGI script. |
7026981.cif |
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