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Information card for entry 7010969
Preview
| Coordinates | 7010969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H92 Al B N2 O5 |
|---|---|
| Calculated formula | C69 H92 Al B N2 O5 |
| SMILES | [Al]123([N](=Cc4c(c(C(C)(C)C)cc(c4)C(C)(C)C)O2)CCC[N]1=Cc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O3)([O]1CCCC1)[O]1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1 |
| Title of publication | Six-coordinate aluminium cations: characterization, catalysis, and theory |
| Authors of publication | Miguel-Angel Munoz-Hernandez; Michael L. McKee; Timothy S. Keizer; Burl C. Yearwood; David A. Atwood |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 3 |
| Pages of publication | 410 - 414 |
| a | 12.915 ± 0.003 Å |
| b | 14.267 ± 0.003 Å |
| c | 34.426 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6343 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0736 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010969.cif |
| 179813 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/09. |
7010969.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010969.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010969.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010969.cif |
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