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Information card for entry 4070755
Preview
| Coordinates | 4070755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 B10 Co O4 Se2 |
|---|---|
| Calculated formula | C15 H23 B10 Co O4 Se2 |
| SMILES | [B]1234([BH]567[BH]89%10[B]%11%12%13%14[BH]%15%169[BH]968[BH]615[BH]152[BH]%11%15([BH]%16961)[C]14%135[C]37%10%12[Se][Co]23456(C(C%14)(C(=O)OC)[Se]16)[cH]1[cH]5[cH]4[cH]3[cH]21)/C=C\C(=O)OC |
| Title of publication | Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand |
| Authors of publication | Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 334 |
| a | 9.5889 ± 0.0013 Å |
| b | 9.6525 ± 0.0013 Å |
| c | 13.9915 ± 0.0019 Å |
| α | 72.157 ± 0.002° |
| β | 75.856 ± 0.002° |
| γ | 73.25 ± 0.002° |
| Cell volume | 1163 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0999 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070755.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070755.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070755.cif |
| 42675 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070751, 4070752, 4070753, 4070754, 4070755 via cif-deposit CGI script. |
4070755.cif |
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