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Information card for entry 2232543
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| Coordinates | 2232543.cif |
|---|---|
| Structure factors | 2232543.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~- benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate] |
|---|---|
| Formula | C34 H43 N O13.25 Zn3 |
| Calculated formula | C34 H43 N O13.25 Zn3 |
| Title of publication | Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate] |
| Authors of publication | Zhu, Xiao-Hong; Cheng, Xiao-Chun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1641 |
| a | 16.295 ± 0.005 Å |
| b | 16.295 ± 0.005 Å |
| c | 28.946 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7686 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/25. |
2232543.cif 2232543.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232543.cif 2232543.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232543.cif 2232543.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232543.cif 2232543.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232543.cif 2232543.hkl |
| 31217 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232543 via cif-deposit CGI script. |
2232543.cif |
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Users of the data should acknowledge the original authors of the
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