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Information card for entry 2228466
Preview
| Coordinates | 2228466.cif |
|---|---|
| Structure factors | 2228466.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cyclo</i>-Tetrakis(μ-naphthalene-1,8-dicarboxylato)tetrakis[diaqua(2,2'- bipyridine)manganese(II)] tetrahydrate |
|---|---|
| Formula | C88 H80 Mn4 N8 O28 |
| Calculated formula | C88 H80 Mn4 N8 O28 |
| SMILES | c12[n](cccc2)[Mn]2([n]3ccccc13)(OC(=O)c1cccc3cccc(c13)C(=O)O[Mn]1([n]3ccccc3c3[n]1cccc3)(OC(=O)c1cccc3cccc(c13)C(=O)O[Mn]1([n]3ccccc3c3cccc[n]13)(OC(=O)c1cccc3cccc(c13)C(=O)O[Mn]1([n]3ccccc3c3[n]1cccc3)(OC(=O)c1cccc3cccc(c13)C(=O)O2)([OH2])[OH2])([OH2])[OH2])([OH2])[OH2])([OH2])[OH2].O.O.O.O |
| Title of publication | <i>cyclo</i>-Tetrakis(μ-naphthalene-1,8-dicarboxylato)tetrakis[diaqua(2,2'-bipyridine)manganese(II)] tetrahydrate |
| Authors of publication | Chen, Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1705 |
| a | 10.3323 ± 0.0003 Å |
| b | 14.3847 ± 0.0004 Å |
| c | 15.4299 ± 0.0005 Å |
| α | 77.76 ± 0.002° |
| β | 74.198 ± 0.002° |
| γ | 76.009 ± 0.002° |
| Cell volume | 2114.77 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (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 2/22/84. |
2228466.cif 2228466.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. |
2228466.cif 2228466.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228466.cif 2228466.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. | 2228466.cif 2228466.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228466.cif 2228466.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228466.cif 2228466.hkl |
| 5790 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228462, 2228463, 2228464, 2228465, 2228466, 2228467, 2228468, 2228469, 2228470, 2228471 via cif-deposit CGI script. |
2228466.cif |
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Users of the data should acknowledge the original authors of the
structural data.