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Information card for entry 4513579
Preview
| Coordinates | 4513579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | As4 O6 |
|---|---|
| Calculated formula | As4 O6 |
| SMILES | O1[As]2O[As]3O[As]1O[As](O2)O3 |
| Title of publication | Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He |
| Authors of publication | Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3740 |
| a | 9.7729 ± 0.0004 Å |
| b | 9.7729 ± 0.0004 Å |
| c | 9.7729 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 933.41 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 17590000 ± 50000 kPa |
| Ambient diffracton pressure | 17590000 ± 50000 kPa |
| Number of distinct elements | 2 |
| Space group number | 227 |
| Hermann-Mauguin space group symbol | F d -3 m :2 |
| Hall space group symbol | -F 4vw 2vw 3 |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.41427 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513579.cif |
| 273129 | 2022-02-23 | cif/4 Fixing Z values and formulae |
4513579.cif |
| 153928 | 2015-09-04 | cif/ Adding structures of 4513566, 4513567, 4513568, 4513569, 4513570, 4513571, 4513572, 4513573, 4513574, 4513575, 4513576, 4513577, 4513578, 4513579, 4513580, 4513581, 4513582, 4513583, 4513584, 4513585, 4513586, 4513587, 4513588, 4513589, 4513590, 4513591 via cif-deposit CGI script. |
4513579.cif |
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Users of the data should acknowledge the original authors of the
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