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Information card for entry 2230628
Preview
Coordinates | 2230628.cif |
---|---|
Structure factors | 2230628.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O'</i>] monohydrate] |
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Formula | C14 H14 Mn N2 O6 |
Calculated formula | C14 H14 Mn N2 O6 |
SMILES | [Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)(OC=O)([OH2])[O]=CO[Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)[OH2].O.O |
Title of publication | <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate] |
Authors of publication | Xu, Wei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m893 |
a | 19.26 ± 0.004 Å |
b | 12.161 ± 0.002 Å |
c | 6.5493 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1534 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
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/2230628.html
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