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Information card for entry 7102144
Preview
| Coordinates | 7102144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H96 I Li N9 O3 P3 |
|---|---|
| Calculated formula | C49 H96 I Li N9 O3 P3 |
| SMILES | I[Li]([N](=P1(N(P(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)C)NC1CCCCC1)C1CCCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Zwitterionic phosphazenium phosphazenate ligands |
| Authors of publication | Benson, Mark A.; Ledger, Joanne; Steiner, Alexander |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 37 |
| Pages of publication | 3823 - 3825 |
| a | 13.1903 ± 0.0016 Å |
| b | 14.2766 ± 0.0017 Å |
| c | 17.645 ± 0.002 Å |
| α | 100.961 ± 0.002° |
| β | 100.643 ± 0.002° |
| γ | 113.484 ± 0.002° |
| Cell volume | 2864 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0805 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1766 |
| Weighted residual factors for all reflections included in the refinement | 0.1854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210750 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7102143-7102144, 7113251-7113252. Marking entries 7113251-7113252 as duplicates of entries 7102143-7102144. |
7102144.cif |
| 180123 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/21. |
7102144.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7102144.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7102144.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7102144.cif |
| 403 | 2008-06-25 | Comitting the Chem-Comm-2007/ CIF files with extracted structural data. |
7102144.cif |
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Users of the data should acknowledge the original authors of the
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