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Information card for entry 2228971
Preview
| Coordinates | 2228971.cif |
|---|---|
| Structure factors | 2228971.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) |
|---|---|
| Formula | C26 H24 Cu N6 O8 |
| Calculated formula | C26 H24 Cu N6 O8 |
| SMILES | C1(O[Cu]234([n]5c1cccc5C(=O)O3)[n]1c(C(=O)O2)cccc1C(=O)O4)=O.c1([nH+]ccc(c1)C)N.c1([nH+]ccc(c1)C)N |
| Title of publication | Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) |
| Authors of publication | Aghabozorg, Hossein; Mofidi Rouchi, Azadeh; Notash, Behrouz; Mirzaei, Masoud |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m189 |
| a | 24.034 ± 0.005 Å |
| b | 14.231 ± 0.003 Å |
| c | 7.978 ± 0.0016 Å |
| α | 90° |
| β | 107.01 ± 0.03° |
| γ | 90° |
| Cell volume | 2609.3 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/89. |
2228971.cif 2228971.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228971.cif 2228971.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228971.cif 2228971.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. | 2228971.cif 2228971.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228971.cif 2228971.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228971.cif 2228971.hkl |
| 11989 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228971 via cif-deposit CGI script. |
2228971.cif |
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Users of the data should acknowledge the original authors of the
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