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Information card for entry 4067698
Preview
| Coordinates | 4067698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H77 Mg N6 Na Si4 |
|---|---|
| Calculated formula | C33 H77 Mg N6 Na Si4 |
| SMILES | [Na]123([N](CC[N]1(C)C)(C)C)([N](CC[N]2(C)C)(C)C)[CH2]([Mg]1([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)[CH2]3[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Multistep Self-Assembly of Heteroleptic Magnesium and Sodium−Magnesium Benzamidinate Complexes |
| Authors of publication | Forret, Robert; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 6 |
| Pages of publication | 1436 |
| a | 14.2642 ± 0.0007 Å |
| b | 14.093 ± 0.0005 Å |
| c | 23.4523 ± 0.0009 Å |
| α | 90° |
| β | 92.232 ± 0.004° |
| γ | 90° |
| Cell volume | 4710.9 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178567 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76. |
4067698.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067698.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067698.cif |
| 34269 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067696, 4067697, 4067698 via cif-deposit CGI script. |
4067698.cif |
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Users of the data should acknowledge the original authors of the
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