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Information card for entry 2200009
Preview
Coordinates | 2200009.cif |
---|---|
Structure factors | 2200009.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene- 1,3-dicarboxylato-κ^3^O:O',O''] |
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Formula | C18 H13 Mn N3 O7 |
Calculated formula | C18 H13 Mn N3 O7 |
SMILES | [Mn]12([n]3c(c4cccc[n]14)cccc3)(OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-])([OH2])[O]=C(c1cc(cc(c1)N(=O)=O)C(=O)O[Mn]1([n]3c(c4cccc[n]14)cccc3)[OH2])O2 |
Title of publication | <i>catena</i>-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''] |
Authors of publication | Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 11 |
Pages of publication | m2273 - m2275 |
a | 5.2027 ± 0.0002 Å |
b | 17.8203 ± 0.0007 Å |
c | 19.0427 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1765.52 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0702 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/2200009.html
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