Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322461
Preview
| Coordinates | 4322461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H28 B N3 Na |
|---|---|
| Calculated formula | C9 H22 B N3 Na |
| SMILES | [BH4-].C[N]12CC[N]3(CC[N]([Na]23)(C)CC1)C |
| 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 | 13.859 ± 0.005 Å |
| b | 13.859 ± 0.005 Å |
| c | 13.859 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2661.9 ± 1.7 Å3 |
| Cell temperature | 183 ± 3 K |
| Ambient diffraction temperature | 183 ± 3 K |
| Number of distinct elements | 5 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.2268 |
| Weighted residual factors for all reflections included in the refinement | 0.2305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| 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. |
4322461.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. |
4322461.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322461.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322461.cif |
| 20733 | 2011-06-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4322461 via cif-deposit CGI script. |
4322461.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.