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Information card for entry 7000598
Preview
| Coordinates | 7000598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dichloro(1,4,8,11-tetrathiacyclotetradecane)indium(III) tetrachloroindate |
|---|---|
| Formula | C10 H20 Cl6 In2 S4 |
| Calculated formula | C10 H20 Cl6 In2 S4 |
| Title of publication | Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of indium(III) halides |
| Authors of publication | Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 9 |
| Pages of publication | 1611 - 1619 |
| a | 11.758 ± 0.005 Å |
| b | 12.416 ± 0.005 Å |
| c | 15.64 ± 0.007 Å |
| α | 92.1 ± 0.02° |
| β | 90.46 ± 0.02° |
| γ | 93.36 ± 0.02° |
| Cell volume | 2277.7 ± 1.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1416 |
| Residual factor for significantly intense reflections | 0.09 |
| Weighted residual factors for significantly intense reflections | 0.1853 |
| Weighted residual factors for all reflections included in the refinement | 0.2033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7000598.cif |
| 179683 | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/05. |
7000598.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000598.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000598.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000598.cif |
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