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Information card for entry 2240884
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| Coordinates | 2240884.cif |
|---|---|
| Structure factors | 2240884.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ-aqua-triaqua(μ~3~-benzene-1,3,5-tricarboxylato)sodiumzinc] sesquihydrate] |
|---|---|
| Formula | C9 H14 Na O11.5 Zn |
| Calculated formula | C9 H14 Na O11.5 Zn |
| Title of publication | Crystal structure of [NaZn(BTC)(H~2~O)~4~]·1.5H~2~O (BTC = benzene-1,3,5-tricarboxylate): a heterometallic coordination compound |
| Authors of publication | Ni, Min; Li, Quanle; Chen, Hao; Li, Shengqing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | m143 - m144 |
| a | 7.098 ± 0.0011 Å |
| b | 9.8 ± 0.0016 Å |
| c | 11.2043 ± 0.0017 Å |
| α | 66.923 ± 0.002° |
| β | 73.598 ± 0.002° |
| γ | 84.72 ± 0.003° |
| Cell volume | 687.68 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.1089 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240884.cif 2240884.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2240884.cif 2240884.hkl |
| 139743 | 2015-06-28 | cif/ hkl/ Adding structures of 2240884 via cif-deposit CGI script. |
2240884.cif 2240884.hkl |
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Users of the data should acknowledge the original authors of the
structural data.