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Information card for entry 7014383
Preview
| Coordinates | 7014383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 In O6 |
|---|---|
| Calculated formula | C42 H60 In O6 |
| SMILES | [In]123(Oc4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(ccc1C(C)(C)C)C(C)(C)C)Oc1c(c(ccc1C(C)(C)C)C(C)(C)C)O3 |
| Title of publication | Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate. |
| Authors of publication | Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 718 - 725 |
| a | 11.3435 ± 0.0004 Å |
| b | 10.0725 ± 0.0004 Å |
| c | 36.4349 ± 0.0014 Å |
| α | 90° |
| β | 90.265 ± 0.001° |
| γ | 90° |
| Cell volume | 4162.9 ± 0.3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (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 7/01/43. |
7014383.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014383.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014383.cif |
| 14741 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014383, 7014384, 7014385, 7014386 via cif-deposit CGI script. |
7014383.cif |
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