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Information card for entry 2221541
Preview
Coordinates | 2221541.cif |
---|---|
Structure factors | 2221541.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[bis(μ~3~-5-nitroisophthalato)bis(1,10-phenanthroline)dimanganese(II)] |
---|---|
Formula | C40 H22 Mn2 N6 O12 |
Calculated formula | C40 H22 Mn2 N6 O12 |
SMILES | [Mn]1234([n]5c6c7[n]3cccc7ccc6ccc5)OC(=[O]1)c1cc(N(=O)=O)cc(c1)C(=O)O[Mn]13([n]5c6c7[n]1cccc7ccc6ccc5)OC(=[O]3)c1cc(N(=O)=O)cc(c1)C(O2)=[O][Mn]123([n]5c6c7[n]3cccc7ccc6ccc5)OC(=[O]1)c1cc(N(=O)=O)cc(c1)C(=O)O[Mn]13([n]5c6c7[n]1cccc7ccc6ccc5)OC(=[O]3)c1cc(N(=O)=O)cc(c1)C(O2)=[O]4 |
Title of publication | Poly[bis(μ~3~-5-nitroisophthalato)bis(1,10-phenanthroline)dimanganese(II)] |
Authors of publication | Wang, Hai-Dong; Li, Min-Min; He, Hong-Yin; Jiang, Fu-Bin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m416 |
a | 10.0602 ± 0.0001 Å |
b | 14.3435 ± 0.0002 Å |
c | 14.6637 ± 0.0002 Å |
α | 104.052 ± 0.001° |
β | 102.633 ± 0.001° |
γ | 110.46 ± 0.001° |
Cell volume | 1812.7 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 all reflections | 0.0397 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/2221541.html
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Users of the data should acknowledge the original authors of the
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