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Information card for entry 4101761
Preview
| Coordinates | 4101761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H31 B11 Ru |
|---|---|
| Calculated formula | C14 H31 B11 Ru |
| SMILES | [Ru]123456789%10([C]%11%12%13(C)[BH]%14%151[BH]1%162[BH]2%173[BH]3%184[BH]45%11[BH]5%11%18[BH]%18%173[BH]3%162[C]%1512([BH]1%12%14[BH]%1345[BH]%11%18312)C)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C(C)C)C |
| Title of publication | Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane. |
| Authors of publication | Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Journal issue | 1 |
| Pages of publication | 18 - 19 |
| a | 9.9962 ± 0.0013 Å |
| b | 12.7008 ± 0.0016 Å |
| c | 16.033 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2035.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178763 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17. |
4101761.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101761.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101761.cif |
| 22682 | 2011-07-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101759, 4101760, 4101761 via cif-deposit CGI script. |
4101761.cif |
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