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Information card for entry 7209127
Preview
Coordinates | 7209127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 N6 Ni O2 S2 |
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Calculated formula | C12 H16 N6 Ni O2 S2 |
SMILES | c1c(C)ncc[n]1[Ni](N=C=S)(N=C=S)([OH2])([OH2])[n]1cc(C)ncc1 |
Title of publication | Exploration and synthesis of condensed coordination networks with modified magnetic properties |
Authors of publication | Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 945 |
a | 6.9271 ± 0.0007 Å |
b | 8.0392 ± 0.001 Å |
c | 9.2125 ± 0.001 Å |
α | 107.194 ± 0.013° |
β | 112.256 ± 0.012° |
γ | 99.445 ± 0.013° |
Cell volume | 430.91 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0604 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7209127.html
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Users of the data should acknowledge the original authors of the
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