Information card for entry 4325886

Structure parameters

• Formula: C29 H42 F12 N8 O19 S4 Zn2
• 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 ų
• 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