Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323370
Preview
| Coordinates | 4323370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H100 Ga Mo3 O47 S10 |
|---|---|
| Calculated formula | C42 H100 Ga Mo3 O47 S10 |
| Title of publication | Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O |
| Authors of publication | Takashi Shibahara; Syoji Kobayashi; Naoki Tsuji; Genta Sakane; Minoru Fukuhara |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1997 |
| Journal volume | 36 |
| Pages of publication | 1702 - 1706 |
| a | 11.188 ± 0.001 Å |
| b | 30.936 ± 0.004 Å |
| c | 23.985 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8301.5 ± 1.5 Å3 |
| Cell temperature | 290.2 K |
| Ambient diffraction temperature | 290.2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Goodness-of-fit parameter for significantly intense reflections | 1.482 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190776 (current) | 2017-01-20 | cif/4/32/33/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 4323370, 4323371. |
4323370.cif |
| 190775 | 2017-01-20 | cif/4/32/33/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entries 4323370, 4323371. |
4323370.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. |
4323370.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. |
4323370.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4323370.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4323370.cif |
| 23398 | 2011-08-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4323370 via cif-deposit CGI script. |
4323370.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.