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Information card for entry 2018410
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| Coordinates | 2018410.cif |
|---|---|
| Structure factors | 2018410.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[ammine-μ~3~-malonato-cadmium(II)] |
|---|---|
| Formula | C3 H5 Cd N O4 |
| Calculated formula | C3 H5 Cd N O4 |
| Title of publication | A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)] |
| Authors of publication | Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m57 - m60 |
| a | 17.3662 ± 0.0008 Å |
| b | 17.3662 ± 0.0008 Å |
| c | 11.4425 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2988.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0146 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0349 |
| Weighted residual factors for all reflections included in the refinement | 0.0354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (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 2/01/84. |
2018410.cif 2018410.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. |
2018410.cif 2018410.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018410.cif 2018410.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. | 2018410.cif 2018410.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018410.cif 2018410.hkl |
| 51031 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018410 via cif-deposit CGI script. |
2018410.cif |
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