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Information card for entry 7008817
Preview
| Coordinates | 7008817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H68 Ni4 O16 P4 S8 |
|---|---|
| Calculated formula | C44 H68 Ni4 O16 P4 S8 |
| SMILES | [Ni]123[S]=P(S1)(O[Ni](OP1(=[S][Ni]4(S1)[S]=P(S4)(O[Ni](OP(=[S]2)(S3)c1ccc(OC)cc1)([OH2])([OH2])([O]1CCCC1)[O]1CCCC1)c1ccc(OC)cc1)c1ccc(cc1)OC)([OH2])([OH2])([O]1CCCC1)[O]1CCCC1)c1ccc(OC)cc1 |
| Title of publication | A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl). |
| Authors of publication | Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 24 |
| Pages of publication | 3909 - 3912 |
| a | 26.921 ± 0.005 Å |
| b | 13.001 ± 0.003 Å |
| c | 18.206 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6372 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1927 |
| Residual factor for significantly intense reflections | 0.1262 |
| Weighted residual factors for significantly intense reflections | 0.2775 |
| Weighted residual factors for all reflections included in the refinement | 0.3167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179792 (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 7/00/88. |
7008817.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008817.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008817.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008817.cif |
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Users of the data should acknowledge the original authors of the
structural data.