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Information card for entry 2018022
Preview
| Coordinates | 2018022.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)nickelate(III)] dihydrate |
|---|---|
| Formula | C28 H28 Bi2 N4 Ni O24 |
| Calculated formula | C28 H28 Bi2 N4 Ni O24 |
| SMILES | [n]12[Bi]345([n]6c(C(=O)O3)cccc6C(=O)O4)OC(=O)c2cccc1C(O[Bi]123([n]4c(C(=O)O5)cccc4C(=O)O1)[n]1c(C(O2)=O)cccc1C(=O)O3)=O.O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O |
| Title of publication | Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate |
| Authors of publication | Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m65 - m68 |
| a | 7.2615 ± 0.0015 Å |
| b | 11.21 ± 0.002 Å |
| c | 12.014 ± 0.002 Å |
| α | 112.96 ± 0.03° |
| β | 90.79 ± 0.03° |
| γ | 97.33 ± 0.03° |
| Cell volume | 891 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0263 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0477 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 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. |
2018022.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018022.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018022.cif |
| 17581 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018021, 2018022 via cif-deposit CGI script. |
2018022.cif |
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