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Information card for entry 2018157
Preview
| Coordinates | 2018157.cif |
|---|---|
| Structure factors | 2018157.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]cadmium(II)] |
|---|---|
| Formula | C22 H20 Cd N4 O6 |
| Calculated formula | C22 H20 Cd N4 O6 |
| Title of publication | Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer |
| Authors of publication | Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m224 - m226 |
| a | 11.58 ± 0.0009 Å |
| b | 8.4221 ± 0.0006 Å |
| c | 11.6393 ± 0.0009 Å |
| α | 90° |
| β | 113.354 ± 0.001° |
| γ | 90° |
| Cell volume | 1042.16 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018157.cif 2018157.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018157.cif 2018157.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018157.cif 2018157.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. | 2018157.cif 2018157.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018157.cif 2018157.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018157.cif 2018157.hkl |
| 23196 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018157 via cif-deposit CGI script. |
2018157.cif |
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