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Information card for entry 4102538
Preview
| Coordinates | 4102538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H84 Ga2 N4 |
|---|---|
| Calculated formula | C76 H84 Ga2 N4 |
| SMILES | [Ga]12([Ga]34N([C@]5(C(=[N]3c3c(cccc3C(C)C)C(C)C)c3c6c5cccc6ccc3)C=C4)c3c(cccc3C(C)C)C(C)C)N([C@]3(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c4c3cccc4ccc1)C=C2)c1c(cccc1C(C)C)C(C)C.[Ga]12([Ga]34N([C@@]5(C(=[N]3c3c(cccc3C(C)C)C(C)C)c3c6c5cccc6ccc3)C=C4)c3c(cccc3C(C)C)C(C)C)N([C@@]3(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c4c3cccc4ccc1)C=C2)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand |
| Authors of publication | Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 7874 - 7875 |
| a | 17.741 ± 0.002 Å |
| b | 26.137 ± 0.003 Å |
| c | 13.6513 ± 0.0017 Å |
| α | 90° |
| β | 89.915 ± 0.003° |
| γ | 90° |
| Cell volume | 6330.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178771 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25. |
4102538.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102538.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102538.cif |
| 25419 | 2011-09-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4102538 via cif-deposit CGI script. |
4102538.cif |
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Users of the data should acknowledge the original authors of the
structural data.