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Information card for entry 2209415
Preview
Coordinates | 2209415.cif |
---|---|
Structure factors | 2209415.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[diaqua(2-sulfonatobenzoato-κ^2^O:O')zinc(II)]- μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N'] N,N-dimethylformamide solvate] |
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Formula | C23 H29 N3 O8 S Zn |
Calculated formula | C23 H29 N3 O8 S Zn |
SMILES | [Zn]1(OC(=O)c2c(S(=O)(=O)O1)cccc2)([OH2])([OH2])([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(CCCc2cc[n]([Zn]3(OC(=O)c4c(S(=O)(=O)O3)cccc4)([OH2])[OH2])cc2)cc1.O=CN(C)C.O=CN(C)C |
Title of publication | <i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate] |
Authors of publication | Hong-Ping Xiao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m1611 - m1612 |
a | 16.933 ± 0.004 Å |
b | 10.918 ± 0.003 Å |
c | 28.116 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5198 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0722 |
Weighted residual factors for significantly intense reflections | 0.1381 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.349 |
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/2209415.html
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