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Information card for entry 7011028
Preview
| Coordinates | 7011028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H74 As2 Li6 N10 O6 |
|---|---|
| Calculated formula | C54 H74 As2 Li6 N10 O6 |
| SMILES | [Li]123[O](C)c4c(cccc4)[N]41[Li]1([N](CC[N]1(C)C)(C)C)[N]1(c5c([O]6C)cccc5)([As]4[N]45[Li]78[O](C)c9c4cccc9)[Li]54[O](C)c2c(cccc2)[N]54[Li]4([N](CC[N]4(C)C)(C)C)[N]27(c2c([O]8C)cccc2)[As]5[N]32[Li]16[O](C)c1c2cccc1 |
| Title of publication | Synthesis, structures and coordination behaviour of [As(NR)3]3− trianions |
| Authors of publication | Allan Bashall; Andrew D. Bond; Alexander D. Hopkins; Sara J. Kidd; Mary McPartlin; Alexander Steiner; Robert Wolf; Anthony D. Woods; Dominic S. Wright |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 3 |
| Pages of publication | 343 - 351 |
| a | 14.1001 ± 0.0005 Å |
| b | 12.9517 ± 0.0003 Å |
| c | 15.8827 ± 0.0005 Å |
| α | 90° |
| β | 101.239 ± 0.002° |
| γ | 90° |
| Cell volume | 2844.88 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011028.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011028.cif |
| 179814 | 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 7/01/10. |
7011028.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011028.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011028.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011028.cif |
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Users of the data should acknowledge the original authors of the
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