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Information card for entry 2201840
Preview
Coordinates | 2201840.cif |
---|---|
Structure factors | 2201840.hkl |
Original IUCr paper | HTML |
Common name | Nickel-ferron complex |
---|---|
Formula | C18 H28 I2 N2 Ni2 O18 S2 |
Calculated formula | C18 H28 I2 N2 Ni2 O18 S2 |
SMILES | c1ccc2c3cc(c4c2[n]1[Ni](O4)([OH2])([OH2])([OH2])OS(=O)(=O)c1cc(c2c4[n](cccc14)[Ni](OS3(=O)=O)(O2)([OH2])([OH2])[OH2])I)I.O.O.O.O |
Title of publication | The interplay of coordination, π‒π stacking and hydrogen bonding in the supramolecular self-assembly of bis(μ-7-iodo-8-hydroxyquinoline-5-sulfonato-κ^3^<i>N,O</i>:<i>O</i>')bis[triaquanickel(II)] tetrahydrate |
Authors of publication | Savarimuthu Baskar Raj; Packianathan Thomas Muthiah; Urszula Rychlewska; Beata Warżajtis; Gabriele Bocelli; Rita Oĺla |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 1 |
Pages of publication | m46 - m49 |
a | 22.053 ± 0.004 Å |
b | 10.009 ± 0.002 Å |
c | 13.241 ± 0.003 Å |
α | 90° |
β | 100.76 ± 0.003° |
γ | 90° |
Cell volume | 2871.3 ± 1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0292 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
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/2201840.html
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