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Information card for entry 4313967
Preview
| Coordinates | 4313967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | compound 1 |
|---|---|
| Formula | C41 H75 Al Li N O5.5 Si4 |
| Calculated formula | C41 H75 Al Li N O5.5 Si4 |
| Title of publication | Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups |
| Authors of publication | Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4970 - 4976 |
| a | 12.024 ± 0.004 Å |
| b | 19.507 ± 0.008 Å |
| c | 23.55 ± 0.015 Å |
| α | 96.41 ± 0.06° |
| β | 94.38 ± 0.03° |
| γ | 107.574 ± 0.017° |
| Cell volume | 5198 ± 4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0924 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313967.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4313967.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313967.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313967.cif |
| 7039 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313967 via cif-deposit CGI script. |
4313967.cif |
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