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Information card for entry 4327653
Preview
| Coordinates | 4327653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H38 Br3 Mo3 N O10 P3 S9 Sb |
|---|---|
| Calculated formula | C22 H38 Br3 Mo3 N O10 P3 S9 Sb |
| Title of publication | Synthesis, Crystal Structure, and Spectroscopic Characterization of a Series of Cubane-like Mo-Sb Clusters Containing a [Mo3SbOS3]7+ Core |
| Authors of publication | Shao-Fang Lu; Jian-Quan Huang; Xiao-Ying Huang; Qiang-Jin Wu; Rong-Min Yu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 3801 - 3805 |
| a | 12.758 ± 0.014 Å |
| b | 17.859 ± 0.013 Å |
| c | 11.882 ± 0.004 Å |
| α | 75.05 ± 0.04° |
| β | 88.15 ± 0.07° |
| γ | 73.24 ± 0.07° |
| Cell volume | 2502 ± 4 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Goodness-of-fit parameter for significantly intense reflections | 1.65 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190289 (current) | 2017-01-09 | cif/4/32/76/ (antanas@echidna.ibt.lt) Correcting the _chemical_formula_sum data item value in entries 4327653, 4327654, 4327655. |
4327653.cif |
| 190288 | 2017-01-09 | cif/4/32/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item to entries 4327653, 4327654, 4327655. |
4327653.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4327653.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. |
4327653.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327653.cif |
| 61625 | 2012-07-05 | cif/ Adding structures of 4327653 via cif-deposit CGI script. |
4327653.cif |
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