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Information card for entry 4302858
Preview
| Coordinates | 4302858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,3-dichloro-2,4-bis[2,4-bis-(2,4,6-trimethylphenyl)phenyl]-cyclo- 1,3-diarsa-2,4-diazane |
|---|---|
| Formula | C48 H50 As2 Cl2 N2 |
| Calculated formula | C48 H50 As2 Cl2 N2 |
| SMILES | N1([As](Cl)N([As]1Cl)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| 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 | 8.636 ± 0.0017 Å |
| b | 10.658 ± 0.002 Å |
| c | 11.458 ± 0.002 Å |
| α | 79.4 ± 0.03° |
| β | 86.56 ± 0.03° |
| γ | 82.36 ± 0.03° |
| Cell volume | 1026.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
4302858.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. |
4302858.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302858.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302858.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302858.cif |
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