Information card for entry 4334073

Structure parameters

• Formula: C29 H33 B4 F16 N9 O6 Zn2
• Calculated formula: C29 H33 B4 F16 N9 O6 Zn2
• SMILES: C=CC(=O)OCc1cccc2C=[N]3N(C)c4cc5[n](c(C)[n]4[Zn]3([n]12)([OH2])[F][B](F)(F)F)[Zn]1([N](=Cc2cccc(COC(=O)C=C)[n]12)N5C)([F][B](F)(F)F)[F][B](F)(F)F.C(#N)C.[B](F)(F)(F)[F-].O
• Title of publication: Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes
• Authors of publication: Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2716 - 2728
• a: 10.4633 ± 0.0011 Å
• b: 15.6954 ± 0.0016 Å
• c: 13.1984 ± 0.0012 Å
• α: 90 ± 0.005°
• β: 106.125 ± 0.004°
• γ: 90 ± 0.005°
• Cell volume: 2082.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No