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Information card for entry 2019505
Preview
| Coordinates | 2019505.cif |
|---|---|
| Structure factors | 2019505.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trichlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III) |
|---|---|
| Formula | C15 H11 Cl3 Ga N3 |
| Calculated formula | C15 H11 Cl3 Ga N3 |
| SMILES | [Ga]12(Cl)(Cl)(Cl)[n]3c(cccc3c3[n]2cccc3)c2[n]1cccc2 |
| Title of publication | Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III) |
| Authors of publication | Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 312 - 314 |
| a | 8.2492 ± 0.0002 Å |
| b | 14.177 ± 0.0003 Å |
| c | 13.7119 ± 0.0003 Å |
| α | 90° |
| β | 104.217 ± 0.003° |
| γ | 90° |
| Cell volume | 1554.48 ± 0.06 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019505.cif 2019505.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019505.cif 2019505.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019505.cif 2019505.hkl |
| 110652 | 2014-04-19 | cif/ hkl/ Adding structures of 2019504, 2019505 via cif-deposit CGI script. |
2019505.cif 2019505.hkl |
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Users of the data should acknowledge the original authors of the
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