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Information card for entry 2238976
Preview
Coordinates | 2238976.cif |
---|---|
Structure factors | 2238976.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] |
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Formula | C20 H18 N2 Ni O8 |
Calculated formula | C20 H18 N2 Ni O8 |
SMILES | [Ni](OC(=O)c1ccc(cc1)C=O)([OH2])(OC(=O)c1ccc(cc1)C=O)([OH2])([n]1cc[n](cc1)[Ni](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])[OH2])[n]1ccncc1 |
Title of publication | <i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] |
Authors of publication | Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 2 |
Pages of publication | m65 - m66 |
a | 22.1032 ± 0.0005 Å |
b | 6.9925 ± 0.0002 Å |
c | 12.3366 ± 0.0003 Å |
α | 90° |
β | 94.16 ± 0.003° |
γ | 90° |
Cell volume | 1901.68 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0844 |
Residual factor for significantly intense reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.2049 |
Weighted residual factors for all reflections included in the refinement | 0.2085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
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/2238976.html
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Users of the data should acknowledge the original authors of the
structural data.