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Information card for entry 2018629
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| Coordinates | 2018629.cif |
|---|---|
| Structure factors | 2018629.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5- nitroisophthalato)cadmium(II)] |
|---|---|
| Formula | C32 H19 Cd N3 O6 |
| Calculated formula | C32 H19 Cd N3 O6 |
| Title of publication | A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)] |
| Authors of publication | Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m306 - m308 |
| a | 11.649 ± 0.002 Å |
| b | 12.702 ± 0.003 Å |
| c | 17.72 ± 0.003 Å |
| α | 90° |
| β | 95.41 ± 0.03° |
| γ | 90° |
| Cell volume | 2610.3 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180855 (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 2/01/86. |
2018629.cif 2018629.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. |
2018629.cif 2018629.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018629.cif 2018629.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. | 2018629.cif 2018629.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018629.cif 2018629.hkl |
| 69750 | 2012-12-21 | cif/ Adding structures of 2018629 via cif-deposit CGI script. |
2018629.cif |
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Users of the data should acknowledge the original authors of the
structural data.