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Information card for entry 7003673
Preview
| Coordinates | 7003673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H108 Li4 N20 Sb4 |
|---|---|
| Calculated formula | C60 H108 Li4 N20 Sb4 |
| SMILES | c12c(cccc2)N2[Sb](N1[Li]13[N](CC[N]1(CC[N]3(C)C)C)(C)C)N1c3c(cccc3)N([Li]34[N](CC[N]3(CC[N]4(C)C)C)(C)C)[Sb]1N1c3c(cccc3)[N]([Li]34[N](CC[N]3(CC[N]4(C)C)C)(C)C)[Sb]1N1c3c(cccc3)N([Sb]21)[Li]12[N](CC[N]1(CC[N]2(C)C)C)(C)C |
| Title of publication | π-Bonding versus oligomerisation in the aromatic anions [C6H4N2E]−: formation of the cyclic tetrameric tetraanion [C6H4N2Sb]44− |
| Authors of publication | García, Felipe; Less, Robert J.; Naseri, Vesal; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 8 |
| Pages of publication | 997 - 999 |
| a | 18.9905 ± 0.0009 Å |
| b | 18.9905 ± 0.0009 Å |
| c | 30.5264 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11009 ± 0.8 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179740 (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 7/00/36. |
7003673.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003673.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003673.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. | 7003673.cif |
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