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Information card for entry 8102269
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| Coordinates | 8102269.cif |
|---|---|
| External links | ChemSpider |
| Formula | C10 H12 N4 O2 S4 |
|---|---|
| Calculated formula | C10 H12 N4 O2 S4 |
| SMILES | S1SSSC2N(C(=O)N(C=2C2N(C(=O)N(C1=2)C)C)C)C |
| Title of publication | Crystal structure of crystal structure of 4,5,9,10-tetrathiocino[1,2-b;5,6-b']diimidazolyl -1,3,6,8-tetramethyl-2,7-dione, C10H12N4O2S4 |
| Authors of publication | Agnes Bittermann; Klaus Wurst; Benno Bildstein |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 233 |
| a | 15.0719 ± 0.0006 Å |
| b | 11.4131 ± 0.0004 Å |
| c | 8.331 ± 0.0003 Å |
| α | 90° |
| β | 93.119 ± 0.002° |
| γ | 90° |
| Cell volume | 1430.95 ± 0.09 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102269.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102269.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102269.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102269.cif |
| 13008 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102269 via cif-deposit CGI script. |
8102269.cif |
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