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Information card for entry 7003445
Preview
| Coordinates | 7003445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H80 Mg2 N6 Na2 |
|---|---|
| Calculated formula | C56 H80 Mg2 N6 Na2 |
| SMILES | [Mg]1(C#Cc2ccccc2)(C#Cc2ccccc2)[N](C(C)C)(C(C)C)[Mg](C#Cc2ccccc2)(C#Cc2ccccc2)[N]1(C(C)C)C(C)C.[N](C)(C)(CC[N]1(C)C)[Na]1.[N](C)(C)(CC[N]1(C)C)[Na]1 |
| Title of publication | Synthesis and characterisation of new bimetallic alkali metal‒magnesium mixed diisopropylamide-acetylides: structural variations in bimetallic lithium- and sodium-heteroleptic magnesiates |
| Authors of publication | García-Álvarez, Joaquín; Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 11 |
| Pages of publication | 1481 - 1486 |
| a | 10.7683 ± 0.0005 Å |
| b | 12.0499 ± 0.0006 Å |
| c | 12.3553 ± 0.0006 Å |
| α | 75.407 ± 0.002° |
| β | 78.428 ± 0.002° |
| γ | 65.633 ± 0.002° |
| Cell volume | 1404.74 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179738 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/34. |
7003445.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003445.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003445.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003445.cif |
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