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Information card for entry 2102030
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| Coordinates | 2102030.cif |
|---|---|
| Structure factors | 2102030.hkl |
| Original IUCr paper | HTML |
| Common name | ammonium tetraphenylborate |
|---|---|
| Chemical name | ammonium tetraphenylborate |
| Formula | C24 H24 B N |
| Calculated formula | C24 H24 B N |
| SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[NH4+] |
| Title of publication | Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction |
| Authors of publication | Steiner, Thomas; Mason, Sax A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 254 - 260 |
| a | 11.2255 ± 0.0015 Å |
| b | 11.2255 ± 0.0015 Å |
| c | 8.0745 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1017.5 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 0.8469 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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