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Information card for entry 2229910
Preview
Coordinates | 2229910.cif |
---|---|
Structure factors | 2229910.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ- 2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^] |
---|---|
Formula | C20 H18 N6 Ni O6 |
Calculated formula | C20 H18 N6 Ni O6 |
SMILES | [Ni](OC=O)(OC=O)([OH2])([OH2])[n]1ccc(cc1)c1nc(c2ccncc2)nc(n1)c1cc[n](cc1)[Ni](OC=O)(OC=O)([OH2])([OH2])[n]1ccc(cc1)c1nc(nc(n1)c1ccncc1)c1ccncc1 |
Title of publication | <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^] |
Authors of publication | Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m563 |
a | 24.725 ± 0.005 Å |
b | 10.969 ± 0.002 Å |
c | 7.4196 ± 0.0015 Å |
α | 90° |
β | 90.23 ± 0.03° |
γ | 90° |
Cell volume | 2012.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/2229910.html
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