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Information card for entry 1501460
Preview
| Coordinates | 1501460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H23 N Na O4 S4 |
|---|---|
| Calculated formula | C30 H23 In N Na O4 S4 |
| SMILES | [In](SC(=O)c1ccccc1)(SC(=O)c1ccccc1)(SC(=O)c1ccccc1)SC(=O)c1ccccc1.[Na+].N#CC |
| Title of publication | New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) |
| Authors of publication | Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 3755 - 3760 |
| a | 10.5774 ± 0.0007 Å |
| b | 21.9723 ± 0.0015 Å |
| c | 14.4196 ± 0.001 Å |
| α | 90° |
| β | 110.121 ± 0.001° |
| γ | 90° |
| Cell volume | 3146.7 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287984 (current) | 2023-12-04 | cif/1/50/14/ Correct changelog date in entries 1501458-1501460. |
1501460.cif |
| 287983 | 2023-12-04 | cif/1/50/14/ Changed the atom site label from '1' to 'In1' in multiple data loops for consistency and readability in entries 1501458-1501460. |
1501460.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501460.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1501460.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501460.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501460.cif |
| 22863 | 2011-08-04 | cif/1/ Fixing journal name in three recently deposited entries. |
1501460.cif |
| 14516 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 1501460 via cif-deposit CGI script. |
1501460.cif |
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