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Information card for entry 4325886
Preview
Coordinates | 4325886.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H42 F12 N8 O19 S4 Zn2 |
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Calculated formula | C29 H42 F12 N8 O19 S4 Zn2 |
SMILES | C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Zn]4([n]23)([OH]1)([OH2])[OH2])[Zn]12([N](=Cc3cccc(C[OH]2)[n]13)N6C)([OH2])[OH2].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].CCOCC |
Title of publication | Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes |
Authors of publication | Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7637 - 7649 |
a | 13.5655 ± 0.0013 Å |
b | 14.274 ± 0.003 Å |
c | 14.289 ± 0.0015 Å |
α | 101.348 ± 0.007° |
β | 113.591 ± 0.005° |
γ | 98.629 ± 0.007° |
Cell volume | 2404.1 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.71069 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/4325886.html
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