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Information card for entry 1556493
Preview
| Coordinates | 1556493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H74 Ca2 I2 O4 Si2 |
|---|---|
| Calculated formula | C44 H74 Ca2 I2 O4 Si2 |
| SMILES | [I-].[Ca]1234([c]5(C#C[Si](C)(C)C)[c]1([c]2([c]3([c]45C)C)C)C)([O]1CCCC1)[O]1CCCC1 |
| 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 | 9.4746 ± 0.0004 Å |
| b | 14.9924 ± 0.0008 Å |
| c | 21.7467 ± 0.0008 Å |
| α | 90° |
| β | 101.49 ± 0.003° |
| γ | 90° |
| Cell volume | 3027.1 ± 0.2 Å3 |
| Cell temperature | 220 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 6 |
| 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244985 (current) | 2019-12-11 | cif/ Adding structures of 1556493 via cif-deposit CGI script. |
1556493.cif |
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Users of the data should acknowledge the original authors of the
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