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Information card for entry 1549356
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| Coordinates | 1549356.cif |
|---|---|
| Structure factors | 1549356.hkl |
| Original IUCr paper | HTML |
| Common name | (AsPh4)2ZrCl6 |
|---|---|
| Chemical name | Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate |
| Formula | C56 H52 As2 Cl6 N4 Zr |
| Calculated formula | C56 H52 As2 Cl6 N4 Zr |
| SMILES | [Zr](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate |
| Authors of publication | Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | x180528 |
| a | 9.6505 ± 0.0007 Å |
| b | 19.378 ± 0.0013 Å |
| c | 15.1026 ± 0.001 Å |
| α | 90° |
| β | 97.849 ± 0.001° |
| γ | 90° |
| Cell volume | 2797.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207587 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 1549356 via cif-deposit CGI script. |
1549356.cif 1549356.hkl |
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Users of the data should acknowledge the original authors of the
structural data.