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Information card for entry 2222191
Preview
Coordinates | 2222191.cif |
---|---|
Structure factors | 2222191.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[tetraaquanickel(II)]-μ~3~-benzene-1,3,5-tricarboxylato- 3':1:2-κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^- [tetraaquanickel(II)]-\μ~2~-benzene-1,3,5-tricarboxylato- 2:3κ^2^<i>O</i>^1^:<i>O</i>^3^-[tetraaquanickel(II)]] |
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Formula | C18 H30 Ni3 O24 |
Calculated formula | C18 H30 Ni3 O24 |
SMILES | [Ni]1([OH2])([OH2])([OH2])([OH2])[O]=C(O1)c1cc(cc(c1)C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc(C(=O)[O-])cc(c1)C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc(C(=O)O[Ni]([OH2])([OH2])([OH2])[OH2])cc(c1)C1=O[Ni](O1)([OH2])([OH2])([OH2])[OH2] |
Title of publication | <i>catena</i>-Poly[[tetraaquanickel(II)]-μ~3~-benzene-1,3,5-tricarboxylato-3':1:2-κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^-[tetraaquanickel(II)]-μ~2~-benzene-1,3,5-tricarboxylato-2:3κ^2^<i>O</i>^1^:<i>O</i>^3^-[tetraaquanickel(II)]] |
Authors of publication | Hsu, Shih-Chen; Chiang, Pei-Hsuan; Chang, Chih-Hsien; Lin, Chia-Her |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | m625 - m626 |
a | 17.3394 ± 0.001 Å |
b | 12.8724 ± 0.0007 Å |
c | 6.5462 ± 0.0003 Å |
α | 90° |
β | 111.609 ± 0.002° |
γ | 90° |
Cell volume | 1358.42 ± 0.13 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/2222191.html
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