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Information card for entry 4114555
Preview
| Coordinates | 4114555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H43 B3 O2 Ru2 |
|---|---|
| Calculated formula | C24 H43 B3 O2 Ru2 |
| SMILES | [Ru]123456789([c]%10([c]6([c]5([c]3([c]2%10C)C)C)C)C)[H][B]2357[Ru]67%10%11%121([BH]12([H]5)[H][BH]14%10[H]8)([H]9)(C3CC(=O)OC)[c]1([c]6([c]7([c]%11([c]%121C)C)C)C)C |
| Title of publication | Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework |
| Authors of publication | Hong Yan; Alicia M. Beatty; Thomas P. Fehlner |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 16367 - 16382 |
| a | 8.6927 ± 0.0005 Å |
| b | 12.2929 ± 0.0007 Å |
| c | 12.4232 ± 0.0007 Å |
| α | 97.835 ± 0.001° |
| β | 93.948 ± 0.001° |
| γ | 102.181 ± 0.001° |
| Cell volume | 1278.97 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
4114555.cif |
| 178916 | 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 4/11/45. |
4114555.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114555.cif |
| 67883 | 2012-10-05 | cif/ Adding structures of 4114555 via cif-deposit CGI script. |
4114555.cif |
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Users of the data should acknowledge the original authors of the
structural data.