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Information card for entry 2230577
Preview
| Coordinates | 2230577.cif |
|---|---|
| Structure factors | 2230577.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[hemi(hexaaquazinc) [[μ~2~-1,3-bis(1,2,4-triazol-1-yl)methane](μ~2~-5-sulfonatobenzene- 1,3-dicarboxylato)zinc] sesquihydrate] |
|---|---|
| Formula | C13 H17 N6 O11.5 S Zn1.5 |
| Calculated formula | C13 H17 N6 O11.5 S Zn1.5 |
| Title of publication | Poly[hemi(hexaaquazinc) [[μ~2~-1,3-bis(1,2,4-triazol-1-yl)methane](μ~2~-5-sulfonatobenzene-1,3-dicarboxylato)zinc] sesquihydrate] |
| Authors of publication | Liu, Shang-Yuan; Tian, Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m950 - m951 |
| a | 10.2611 ± 0.0003 Å |
| b | 16.9967 ± 0.0004 Å |
| c | 11.4808 ± 0.0003 Å |
| α | 90° |
| β | 93.812 ± 0.002° |
| γ | 90° |
| Cell volume | 1997.88 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181227 (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 2/23/05. |
2230577.cif 2230577.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230577.cif 2230577.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230577.cif 2230577.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. | 2230577.cif 2230577.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230577.cif 2230577.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230577.cif 2230577.hkl |
| 22877 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230577 via cif-deposit CGI script. |
2230577.cif |
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Users of the data should acknowledge the original authors of the
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