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Information card for entry 7019723
Preview
| Coordinates | 7019723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H137 Ga5 I4 N6 |
|---|---|
| Calculated formula | C93 H137 Ga5 I4 N6 |
| SMILES | I[Ga]1([Ga]23[I][Ga]4(N(C(=CC(=[N]4c4c(cc(cc4C)C)C)C(C)(C)C)C(C)(C)C)c4c(cc(cc4C)C)C)[Ga]3([I]2)[Ga]2(I)N(C(=CC(=[N]2c2c(cc(cc2C)C)C)C(C)(C)C)C(C)(C)C)c2c(cc(cc2C)C)C)[N](=C(C=C(N1c1c(cc(cc1C)C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C)C)C.CCCCCC |
| 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 | 14.8206 ± 0.0004 Å |
| b | 17.7618 ± 0.0005 Å |
| c | 18.724 ± 0.0006 Å |
| α | 84.734 ± 0.003° |
| β | 89.572 ± 0.002° |
| γ | 85.108 ± 0.002° |
| Cell volume | 4890.2 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
7019723.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019723.cif |
| 64285 | 2012-08-12 | cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script. |
7019723.cif |
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