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Information card for entry 7110565
Preview
| Coordinates | 7110565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H134 Mo6 N10 O106 S8 Si2 W22 |
|---|---|
| Calculated formula | C14 Mo6 N7 O110 S8 Si2 W22 |
| Title of publication | ‘Adding’ stable functional complementary, nucleophilic and electrophilic clusters: a synthetic route to [{(SiW11O39)Mo3S4(H2O)3(μ-OH)}2]10− and [{(P2W17O61)Mo3S4(H2O)3(μ-OH)}2]14− as examples |
| Authors of publication | Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Hauptfleisch, Björn; Fenske, Heinz-Dieter; Baum, Gerhard |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 1999 |
| Journal issue | 13 |
| Pages of publication | 1189 - 1190 |
| a | 24.82 ± 0.005 Å |
| b | 20.98 ± 0.004 Å |
| c | 26.87 ± 0.005 Å |
| α | 90° |
| β | 97.24 ± 0.03° |
| γ | 90° |
| Cell volume | 13880 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0888 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1141 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209523 (current) | 2018-08-10 | cif/7/11/05/ (antanas@kurmis) Updating bibliography in entries 7110565, 7110566. |
7110565.cif |
| 180219 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05. |
7110565.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. |
7110565.cif |
| 95413 | 2014-01-28 | cif/ Adding structures of 7110565, 7110566 via cif-deposit CGI script. |
7110565.cif |
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