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Information card for entry 7029701
Preview
| Coordinates | 7029701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (DIPP-nacnac-N)2Mg2(H3BNHDIPP)H.(THF) |
|---|---|
| Formula | C55 H81 B Mg2 N6 O |
| Calculated formula | C55 H81 B Mg2 N6 O |
| SMILES | [Mg]12([H][Mg]34([n]5c([N]3=C(C)C=C(N4c3c(cccc3C(C)C)C(C)C)C)cccc5[N]2=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)[O]1CCCC1)[NH](c1c(cccc1C(C)C)C(C)C)[BH3] |
| Title of publication | Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster. |
| Authors of publication | Harder, Sjoerd; Spielmann, Jan; Intemann, Julia |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 38 |
| Pages of publication | 14284 - 14290 |
| a | 13.428 ± 0.0007 Å |
| b | 20.4076 ± 0.001 Å |
| c | 21.3571 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5852.6 ± 0.5 Å3 |
| Cell temperature | 117 ± 2 K |
| Ambient diffraction temperature | 117 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029701.cif |
| 180003 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97. |
7029701.cif |
| 124710 | 2014-10-06 | cif/ Updating files of 7029701, 7029702, 7029703 Original log message: Adding full bibliography for 7029701--7029703.cif. |
7029701.cif |
| 109499 | 2014-04-15 | cif/ Adding structures of 7029701, 7029702, 7029703 via cif-deposit CGI script. |
7029701.cif |
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