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Information card for entry 7019718
Preview
| Coordinates | 7019718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H88 Ga N4 Na |
|---|---|
| Calculated formula | C88 H88 Ga N4 Na |
| SMILES | [Ga]1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[Na]1([N](CC[N]1(C)C)(C)C).c1cccc(c1)C.c1(ccccc1)C |
| 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 | 12.329 ± 0.003 Å |
| b | 12.39 ± 0.003 Å |
| c | 24.625 ± 0.005 Å |
| α | 88.71 ± 0.03° |
| β | 83.1 ± 0.03° |
| γ | 74.15 ± 0.03° |
| Cell volume | 3592.2 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7019718.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019718.cif |
| 64285 | 2012-08-12 | cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script. |
7019718.cif |
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