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Information card for entry 2018036
Preview
| Coordinates | 2018036.cif |
|---|---|
| Structure factors | 2018036.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate] |
|---|---|
| Formula | C16 H20 Cu2 Mg N2 O22 |
| Calculated formula | C16 H20 Cu2 Mg N2 O22 |
| SMILES | [Cu]123[O](c4c(C(=O)O3)cc(N(=O)=O)cc4C(=O)O3)[Cu]34[O]2c2c(C(=O)O4)cc(N(=O)=O)cc2C(O1)=O.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O |
| Title of publication | <i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate] |
| Authors of publication | Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Ma, De-Yun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m105 - m107 |
| a | 5.0936 ± 0.0008 Å |
| b | 9.832 ± 0.0013 Å |
| c | 12.8114 ± 0.0014 Å |
| α | 73.952 ± 0.001° |
| β | 78.679 ± 0.001° |
| γ | 83.706 ± 0.002° |
| Cell volume | 603.55 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (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 2/01/80. |
2018036.cif 2018036.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. |
2018036.cif 2018036.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018036.cif 2018036.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. | 2018036.cif 2018036.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018036.cif 2018036.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2018036.cif 2018036.hkl |
| 19124 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2018036 via cif-deposit CGI script. |
2018036.cif |
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