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Information card for entry 2211178
Preview
Coordinates | 2211178.cif |
---|---|
Structure factors | 2211178.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly{[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ- 3,5-dinitrosalicylato-κ^3^O,O':O''} |
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Formula | C19 H10 N4 O7 Zn |
Calculated formula | C19 H10 N4 O7 Zn |
SMILES | [Zn]12([n]3cccc4c3c3c(ccc[n]13)cc4)(Oc1c(C(=O)O2)cc(cc1N(=O)=O)N(=O)=O)[O]=C1c2c(c(cc(c2)N(=O)=O)N(=O)=O)O[Zn]2([n]3cccc4c3c3c(ccc[n]23)cc4)O1 |
Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-3,5-dinitrosalicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] |
Authors of publication | Song, Wen-Dong; Xi, Dan-Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 11 |
Pages of publication | m3083 - m3085 |
a | 12.334 ± 0.0005 Å |
b | 8.1155 ± 0.0003 Å |
c | 18.481 ± 0.0007 Å |
α | 90° |
β | 104.403 ± 0.002° |
γ | 90° |
Cell volume | 1791.74 ± 0.12 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/2211178.html
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