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Information card for entry 4310729
Preview
| Coordinates | 4310729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ammonium Dibarium Hexathiotriarsenate(III)-Ammonia(1/13) |
|---|---|
| Formula | As3 Ba H43 N14 S6 |
| Calculated formula | As3 Ba H43 N14 S6 |
| SMILES | [Ba]([NH3])([NH3])([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[As]1(S[As](S[As](S1)[S-])[S-])[S-].N.N.N.N.N.[NH4+] |
| Title of publication | First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3 |
| Authors of publication | Thomas Rossmeier; Markus Reil; Nikolaus Korber |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 2206 - 2212 |
| a | 12.393 Å |
| b | 12.63 Å |
| c | 19.382 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3033.74 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310729.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310729.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310729.cif |
| 2218 | 2010-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4310729 via cif-deposit CGI script. |
4310729.cif |
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