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Information card for entry 7110508
Preview
| Coordinates | 7110508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H736 Mo154 Na21 O830 P7 |
|---|---|
| Calculated formula | Mo154 Na4 O752 P7 |
| Title of publication | Assembling nanosized ring-shaped synthons to an anionic layer structure based on the synergetically induced functional complementarity of their surface-sites: Na21[MoVI126MoV28O462H14(H2O)54(H2PO2)7]·xH2O (x ≈ 300) |
| Authors of publication | Müller, Achim; Das, Samar K.; Bögge, Hartmut; Beugholt, Christian; Schmidtmann, Marc |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 11 |
| Pages of publication | 1035 |
| a | 50.075 ± 0.003 Å |
| b | 56.049 ± 0.004 Å |
| c | 30.302 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 85047 ± 10 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c a |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.1625 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.2743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190299 (current) | 2017-01-09 | cif/7/11/ (antanas@echidna.ibt.lt) Changing the _chemical_formula_sum data item value from 'A21 H736 M N O984 P7' to 'H736 Mo154 Na21 O830 P7' in entry 7110508. |
7110508.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. |
7110508.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. |
7110508.cif |
| 95290 | 2014-01-28 | cif/ Adding structures of 7110508 via cif-deposit CGI script. |
7110508.cif |
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