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Information card for entry 7011314
Preview
Coordinates | 7011314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 Ni S4 |
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Calculated formula | C22 H30 Ni S4 |
SMILES | CC1(C)[S](Cc2ccccc2)[Ni]2(SC1)SCC(C)(C)[S]2Cc1ccccc1 |
Title of publication | Synthesis, characterisation and crystal structures of new nickel complexes in S4 coordination spheres; an unprecedented rearrangement during ligand synthesis |
Authors of publication | Johanna A. W. Verhagen; Dianne D. Ellis; Martin Lutz; Anthony L. Spek; Elisabeth Bouwman |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1275 - 1280 |
a | 7.1006 ± 0.0002 Å |
b | 8.3936 ± 0.0002 Å |
c | 10.4298 ± 0.0004 Å |
α | 108.642 ± 0.0016° |
β | 105.664 ± 0.0017° |
γ | 89.9694 ± 0.0019° |
Cell volume | 564.61 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0724 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7011314.html
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