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Information card for entry 4322456
Preview
| Coordinates | 4322456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tris(p-benzylpyridine) Lithium Tetrahydridoborate |
|---|---|
| Formula | C36 H37 B Li N3 |
| Calculated formula | C36 H37 B Li N3 |
| SMILES | [n]1(ccc(cc1)Cc1ccccc1)[Li]1([n]2ccc(cc2)Cc2ccccc2)([n]2ccc(cc2)Cc2ccccc2)[H][BH2][H]1 |
| Title of publication | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate |
| Authors of publication | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4188 - 4196 |
| a | 10.1206 ± 0.0014 Å |
| b | 12.417 ± 0.002 Å |
| c | 13.462 ± 0.003 Å |
| α | 83.189 ± 0.002° |
| β | 86.068 ± 0.003° |
| γ | 69.166 ± 0.004° |
| Cell volume | 1569.3 ± 0.5 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.3024 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4322456.cif |
| 179327 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/24. |
4322456.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322456.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322456.cif |
| 20728 | 2011-06-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4322456 via cif-deposit CGI script. |
4322456.cif |
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