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Information card for entry 4110818
Preview
| Coordinates | 4110818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp*2Co2(B6H14) |
|---|---|
| Chemical name | (Tetradecahydrohexaborato)bis(pentamethylcyclopentadienyl)dicobalt |
| Formula | C20 H44 B6 Co2 |
| Calculated formula | C20 H44 B6 Co2 |
| SMILES | [BH]1234[BH]56([BH2]7([Co]89%10%1115([H]7)([BH]153[BH]37([BH2]%12([Co]%13%14%15%16413([c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[H]%12)[H]7)[H]5)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[H]6)[H]2 |
| Title of publication | Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14) |
| Authors of publication | Do Young Kim; Gregory S. Girolami |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 10969 - 10977 |
| a | 8.706 ± 0.001 Å |
| b | 8.706 ± 0.001 Å |
| c | 32.496 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2463 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178879 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08. |
4110818.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110818.cif |
| 59670 | 2012-06-13 | cif/ Adding structures of 4110818 via cif-deposit CGI script. |
4110818.cif |
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Users of the data should acknowledge the original authors of the
structural data.