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Information card for entry 2210503
Preview
Coordinates | 2210503.cif |
---|---|
Structure factors | 2210503.hkl |
Original IUCr paper | HTML |
Chemical name | Pentaaqua-1κ^5^O-(μ-pyridine-2,6-dicarboxylato- 1κO^2^:2κ^3^O^2'^,N,O^6^)(pyridine-2,6-dicarboxylato- 2κ^3^O^2^,N,O^6^)dimanganese(II) dihydrate |
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Formula | C14 H20 Mn2 N2 O15 |
Calculated formula | C14 H20 Mn2 N2 O15 |
SMILES | [Mn]1234([n]5c(C(=O)O1)cccc5C(=O)O2)[n]1c(C(=O)O3)cccc1C(O[Mn]([OH2])([OH2])([OH2])([OH2])[OH2])=[O]4.O.O |
Title of publication | Pentaaqua-1κ^5^<i>O</i>-(μ-pyridine-2,6-dicarboxylato-1κ<i>O</i>^2^:2κ^3^<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^)(pyridine-2,6-dicarboxylato-2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)dimanganese(II) dihydrate |
Authors of publication | Liu, Ying; Dou, Jian-Min; Wang, Da-Qi; Zhang, Xian-Xi; Zhou, Lei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 10 |
Pages of publication | m2526 - m2527 |
a | 8.4001 ± 0.0004 Å |
b | 27.434 ± 0.0014 Å |
c | 9.626 ± 0.0005 Å |
α | 90° |
β | 98.24 ± 0.001° |
γ | 90° |
Cell volume | 2195.39 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0943 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
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/2210503.html
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