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Information card for entry 7005845
Preview
| Coordinates | 7005845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21.5 H44 Al2 Cl4 N6 |
|---|---|
| Calculated formula | C21.5 H44 Al2 Cl4 N6 |
| Title of publication | Theoretical and experimental investigations of ligand exchange in guanidinate ligand systems for group 13 metals. |
| Authors of publication | Brazeau, Allison L.; DiLabio, Gino A.; Kreisel, Kevin A.; Monillas, Wesley; Yap, Glenn P. A.; Barry, Seán T |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 30 |
| Pages of publication | 3297 - 3304 |
| a | 13.383 ± 0.005 Å |
| b | 14.935 ± 0.006 Å |
| c | 31.025 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6201 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.2462 |
| Weighted residual factors for all reflections included in the refinement | 0.2538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7005845.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7005845.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005845.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005845.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005845.cif |
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Users of the data should acknowledge the original authors of the
structural data.