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Information card for entry 4321426
Preview
| Coordinates | 4321426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetrakis[(THF)magnesium tri(tert-butyl)silylphosphandiide] |
|---|---|
| Formula | C68 H148 Mg4 O5 P4 Si4 |
| Calculated formula | C68 H148 Mg4 O5 P4 Si4 |
| SMILES | [P]12([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]3([P]4([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]1([O]1CCCC1)[P]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]2([P]3([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]41[O]1CCCC1)[O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Polyhedral Members of the Mg2nP2m Family Derived from Dimeric Magnesium Trialkylsilylphosphandiide |
| Authors of publication | Matthias Westerhausen; Mathias Krofta; Peter Mayer; Marcus Warchhold; Heinrich Nöth |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 4721 - 4724 |
| a | 13.4542 ± 0.0014 Å |
| b | 26.1232 ± 0.0014 Å |
| c | 24.5392 ± 0.0015 Å |
| α | 90° |
| β | 96.528 ± 0.01° |
| γ | 90° |
| Cell volume | 8568.8 ± 1.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0721 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179317 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/14. |
4321426.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321426.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321426.cif |
| 18797 | 2011-05-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4321426 via cif-deposit CGI script. |
4321426.cif |
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