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Information card for entry 7014026
Preview
| Coordinates | 7014026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H46 O8 P2 Zn4 |
|---|---|
| Calculated formula | C20 H46 O8 P2 Zn4 |
| SMILES | C[Zn]12[O]3(CCCC3)[Zn]3(C)[O]1P1(C(C)(C)C)=[O][Zn]4(C)[O]5(CCCC5)[Zn](C)(O1)[O]4P(C(C)(C)C)(=[O]2)O3 |
| 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 | 9.933 ± 0.002 Å |
| b | 11.311 ± 0.002 Å |
| c | 13.865 ± 0.003 Å |
| α | 90° |
| β | 95.59 ± 0.03° |
| γ | 90° |
| Cell volume | 1550.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| 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. |
7014026.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014026.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014026.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7014026.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014026.cif |
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