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Information card for entry 7014073
Preview
| Coordinates | 7014073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H140 Cl2 Li4 N8 O12 P2 |
|---|---|
| Calculated formula | C96 H140 Cl2 Li4 N8 O12 P2 |
| SMILES | P1(=[N](c2ccccc2)[Li](N1c1ccccc1)([O]1CCCC1)[O]1CCCC1)(Nc1ccccc1)Nc1ccccc1.P1(=[N](c2ccccc2)[Li](N1c1ccccc1)([O]1CCCC1)[O]1CCCC1)(Nc1ccccc1)Nc1ccccc1.[Cl-].[Cl]([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations. |
| Authors of publication | Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 7 |
| Pages of publication | 989 - 995 |
| a | 13.135 ± 0.007 Å |
| b | 13.475 ± 0.007 Å |
| c | 15.345 ± 0.008 Å |
| α | 107.012 ± 0.009° |
| β | 105.86 ± 0.009° |
| γ | 90.125 ± 0.009° |
| Cell volume | 2488 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1332 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.2457 |
| Weighted residual factors for all reflections included in the refinement | 0.2791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
7014073.cif |
| 179844 | 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 7/01/40. |
7014073.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014073.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014073.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014073.cif |
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