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Information card for entry 1556491
Preview
| Coordinates | 1556491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H45 Na O3 Si |
|---|---|
| Calculated formula | C26 H45 Na O3 Si |
| SMILES | [Si](C#C[c]12[Na]345([O]6CCCC6)([O]6CCCC6)([O]6CCCC6)[c]1([c]5([c]4([c]23C)C)C)C)(C)(C)C |
| Title of publication | Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand |
| Authors of publication | Seifert, T.; Roesky, P.W. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 28 |
| a | 8.1123 ± 0.0004 Å |
| b | 14.1264 ± 0.0005 Å |
| c | 24.7662 ± 0.0014 Å |
| α | 90° |
| β | 99.36 ± 0.004° |
| γ | 90° |
| Cell volume | 2800.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.1562 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.2044 |
| Weighted residual factors for all reflections included in the refinement | 0.2505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244983 (current) | 2019-12-11 | cif/ Adding structures of 1556491 via cif-deposit CGI script. |
1556491.cif |
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Users of the data should acknowledge the original authors of the
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