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Information card for entry 2233650
Preview
| Coordinates | 2233650.cif |
|---|---|
| Structure factors | 2233650.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'- methylenebis(naphthalene-3-carboxylato)]zinc] |
|---|---|
| Formula | C37 H28 N4 O6 Zn |
| Calculated formula | C37 H28 N4 O6 Zn |
| Title of publication | Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'-methylenebis(naphthalene-3-carboxylato)]zinc] |
| Authors of publication | Peng, Yanqiang; Wei, Xilian; Li, Dacheng; Wang, Suna |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m125 - m126 |
| a | 10.8382 ± 0.0009 Å |
| b | 17.3428 ± 0.0016 Å |
| c | 17.7939 ± 0.0017 Å |
| α | 90° |
| β | 100.781 ± 0.001° |
| γ | 90° |
| Cell volume | 3285.6 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1445 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233650.cif 2233650.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. |
2233650.cif 2233650.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233650.cif 2233650.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. | 2233650.cif 2233650.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233650.cif 2233650.hkl |
| 38463 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233650 via cif-deposit CGI script. |
2233650.cif |
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Users of the data should acknowledge the original authors of the
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