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Information card for entry 7216583
Preview
Coordinates | 7216583.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H12 N6 Ni S2 |
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Calculated formula | C4 H12 N6 Ni S2 |
SMILES | [NH2]1N=C(NC)S[Ni]21SC(=N[NH2]2)NC |
Title of publication | Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes |
Authors of publication | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. |
Journal of publication | CrystEngComm |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 89 |
Pages of publication | 539 |
a | 9.956 ± 0.002 Å |
b | 4.6144 ± 0.001 Å |
c | 10.907 ± 0.002 Å |
α | 90° |
β | 110.034 ± 0.005° |
γ | 90° |
Cell volume | 470.76 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0593 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.6898 Å |
Diffraction radiation type | Synchrotron |
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/7216583.html
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Users of the data should acknowledge the original authors of the
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