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Information card for entry 7019720
Preview
| Coordinates | 7019720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H104 Ga N2 Na O6 |
|---|---|
| Calculated formula | C92 H104 Ga N2 Na O6 |
| SMILES | C1=[N](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)[Ga][N](=C1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1 |
| Title of publication | Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues. |
| Authors of publication | Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 31 |
| Pages of publication | 9304 - 9315 |
| a | 36.638 ± 0.007 Å |
| b | 11.566 ± 0.002 Å |
| c | 25.97 ± 0.005 Å |
| α | 90° |
| β | 134.67 ± 0.03° |
| γ | 90° |
| Cell volume | 7826 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179901 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/97. |
7019720.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019720.cif |
| 64285 | 2012-08-12 | cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script. |
7019720.cif |
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