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Information card for entry 4302859
Preview
| Coordinates | 4302859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 1-chloro-3-(trifluoromethylsulfonato)-2,4-bis[2,4-bis-(2,4,6-trimethylphenyl) phenyl]-cyclo-1,3-diarsa-2,4-diazane |
|---|---|
| Formula | C49 H50 As2 Cl F3 N2 O3 S |
| Calculated formula | C49 H50 As2 Cl F3 N2 O3 S |
| SMILES | [As]1(N([As](Cl)N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)OS(=O)(=O)C(F)(F)F |
| Title of publication | Cyclic Arsenic-Nitrogen Cations |
| Authors of publication | Axel Schulz; Alexander Villinger |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 7359 - 7367 |
| a | 13.742 ± 0.003 Å |
| b | 14.494 ± 0.003 Å |
| c | 23.784 ± 0.005 Å |
| α | 90° |
| β | 91.51 ± 0.03° |
| γ | 90° |
| Cell volume | 4735.6 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4302859.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4302859.cif |
| 179066 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28. |
4302859.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302859.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302859.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302859.cif |
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Users of the data should acknowledge the original authors of the
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