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Information card for entry 7014027
Preview
| Coordinates | 7014027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H80 O16 P4 Zn6 |
|---|---|
| Calculated formula | C36 H80 O16 P4 Zn6 |
| SMILES | [Zn]12([O]=P3(O[Zn]4([O]5CCCC5)[O]=P5([O]6[Zn]78([O]3[Zn]3([O]8(CC)[Zn]67([O]3P(=[O][Zn](O5)([O]3CCCC3)[O]=P(O2)(O4)C(C)(C)C)(O1)C(C)(C)C)CC)CC)CC)C(C)(C)C)C(C)(C)C)[O]1CCCC1 |
| Title of publication | Molecular zinc phosphonates: synthesis and X-ray crystal structures of [[(ZnMe)4(THF)2][tBuPO3]2] and [[(ZnEt)3(Zn(THF))3][tBuPO3]4[mu3-OEt]]. |
| Authors of publication | Anantharaman, Ganapathi; Chandrasekhar, Vadapalli; Walawalkar, Mrinalini G.; Roesky, Herbert W.; Vidovic, Denis; Magull, Jorg; Noltemeyer, Mathias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 8 |
| Pages of publication | 1271 - 1275 |
| a | 12.512 ± 0.003 Å |
| b | 13.218 ± 0.003 Å |
| c | 16.542 ± 0.003 Å |
| α | 89.39 ± 0.03° |
| β | 85.99 ± 0.03° |
| γ | 78.1 ± 0.03° |
| Cell volume | 2670.4 ± 1.1 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.783 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179844 (current) | 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. |
7014027.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014027.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014027.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014027.cif |
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