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Information card for entry 2240337
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| Coordinates | 2240337.cif |
|---|---|
| Structure factors | 2240337.hkl |
| Original paper (by DOI) | HTML |
| Common name | zinc mesitycarboxylate |
|---|---|
| Chemical name | <i>catena</i>-Poly[[tris(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc]-μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>'] |
| Formula | C40 H44 O8 Zn2 |
| Calculated formula | C40 H44 O8 Zn2 |
| SMILES | [Zn]12([O]=C(O[Zn]([O]=C(O1)c1c(cc(cc1C)C)C)(OC(=O)c1c(cc(cc1C)C)C)[O]=C(O2)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[O]=C(O[Zn]12[O]=C(O[Zn]([O]=C(O1)c1c(cc(cc1C)C)C)[O]=C(O2)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C |
| Title of publication | Crystal structure of the one-dimensional metal‒organic polymer <i>catena</i>-poly[[tris(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc]-μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Yamamura, Masaki; Nabeshima, Tatsuya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | m14 - m15 |
| a | 12.0578 ± 0.0012 Å |
| b | 14.5824 ± 0.0015 Å |
| c | 22.275 ± 0.002 Å |
| α | 90° |
| β | 102.36 ± 0.001° |
| γ | 90° |
| Cell volume | 3825.9 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240337.cif 2240337.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240337.cif 2240337.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240337.cif 2240337.hkl |
| 128887 | 2014-12-21 | cif/ hkl/ Adding structures of 2240337 via cif-deposit CGI script. |
2240337.cif 2240337.hkl |
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