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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228466.html
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Users of the data should acknowledge the original authors of the
structural data.