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Information card for entry 7113588
Preview
| Coordinates | 7113588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H75 Br6 Cl2 In2 Mg2 N O6 Si |
|---|---|
| Calculated formula | C39 H75 Br6 Cl2 In2 Mg2 N O6 Si |
| SMILES | C12(C(=C([C]3(=[C]1(C)[In]3(N(C(C)(C)C)[Si]2(C)C)(Br)Br)C)C)C)[In](Br)(Br)Br.C1CCC[O]1[Mg]12([O]3CCCC3)([O]3CCCC3)[Br][Mg]([O]3CCCC3)([O]3CCCC3)([O]3CCCC3)([Cl]2)[Cl]1 |
| Title of publication | An unprecedented mode of ligation for a bridged amido-cyclopentadienide (constrained geometry) ligand; π-olefinic interactions with gallium and indium |
| Authors of publication | Pietryga, Jeffrey M.; Jones, Jamie N.; Mullins, Lucille A.; Wiacek, Robert J.; Cowley, Alan H. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 16 |
| Pages of publication | 2072 - 2073 |
| a | 20.235 ± 0.004 Å |
| b | 19.009 ± 0.004 Å |
| c | 15.175 ± 0.003 Å |
| α | 90° |
| β | 102.65 ± 0.03° |
| γ | 90° |
| Cell volume | 5695 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103835 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210595 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103834-7103835, 7113585-7113588. Marking entries 7113587-7113588 as duplicates of entries 7103834-7103835. |
7113588.cif |
| 181910 | 2016-04-06 | cif/7 Fixing Z values and formulae |
7113588.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113588.cif |
| 115146 | 2014-06-02 | cif/ Adding structures of 7113587, 7113588 via cif-deposit CGI script. |
7113588.cif |
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