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Information card for entry 7011149
Preview
Coordinates | 7011149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 N10 Ni O2 S4 |
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Calculated formula | C20 H20 N10 Ni O2 S4 |
SMILES | C1(=[S][Ni]2(SC(=N1)N)SC(=NC(=[S]2)N)N)N.C1(=N)NC(=O)c2c1cccc2.C1(=N)NC(=O)c2ccccc12 |
Title of publication | Modification of supramolecular motifs: some effects of incorporation of metal complexes into supramolecular arrays |
Authors of publication | Michael M. Bishop; Leonard F. Lindoy; Brian W. Skelton; Allan H. White |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 3 |
Pages of publication | 377 - 382 |
a | 7.502 ± 0.001 Å |
b | 7.681 ± 0.001 Å |
c | 12.061 ± 0.002 Å |
α | 91.773 ± 0.002° |
β | 107.638 ± 0.002° |
γ | 113.737 ± 0.002° |
Cell volume | 596.9 ± 0.15 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 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 | 0.04 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.042 |
Goodness-of-fit parameter for all reflections | 1.194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
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/7011149.html
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