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Information card for entry 4112987
Preview
| Coordinates | 4112987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B6 Cr H16 |
|---|---|
| Calculated formula | B6 Cr H16 |
| SMILES | [BH]1234[BH]56([BH2]1([H]4)[H]6)[Cr]1462([H]3)([H]5)[BH]23([BH]15([BH2]2([H]3)[H]5)[H]6)[H]4 |
| Title of publication | A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes |
| Authors of publication | Dean M. Goedde; Gregory S. Girolami |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 12230 - 12231 |
| a | 4.3898 ± 0.0018 Å |
| b | 5.694 ± 0.002 Å |
| c | 9.023 ± 0.004 Å |
| α | 105.192 ± 0.006° |
| β | 93.81 ± 0.006° |
| γ | 111.102 ± 0.006° |
| Cell volume | 199.79 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
4112987.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112987.cif |
| 65406 | 2012-09-05 | cif/ Adding structures of 4112987 via cif-deposit CGI script. |
4112987.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.