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Information card for entry 2222075
Preview
Coordinates | 2222075.cif |
---|---|
Structure factors | 2222075.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-9,10-dioxoanthracene-1,5- disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^] tetrahydrate] |
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Formula | C38 H30 Mn N4 O12 S2 |
Calculated formula | C38 H30 Mn N4 O12 S2 |
SMILES | [Mn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)([n]1c3c(ccc1)ccc1ccc[n]2c31)(OS(=O)(=O)c1c2C(=O)c3c(C(=O)c2ccc1)c(ccc3)S(=O)(=O)O[Mn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)[n]1c3c(ccc1)ccc1ccc[n]2c31)OS(=O)(=O)c1c2C(=O)c3cccc(S(=O)(=O)[O-])c3C(=O)c2ccc1.O.O.O.O.O.O.O.O |
Title of publication | <i>catena</i>-Poly[[[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^] tetrahydrate] |
Authors of publication | Jia, Jia; Feng, Wen; Zhao, Hong-Kun; Yang, En-Cui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | m695 - m696 |
a | 8.8882 ± 0.0009 Å |
b | 9.578 ± 0.001 Å |
c | 11.016 ± 0.001 Å |
α | 105.962 ± 0.001° |
β | 103.05 ± 0.001° |
γ | 93.12 ± 0.001° |
Cell volume | 871.54 ± 0.15 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/2222075.html
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Users of the data should acknowledge the original authors of the
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