Information card for entry 4325880

Structure parameters

• Formula: C23 H31 B4 F16 N9 O5 Zn2
• Calculated formula: C23 H31 B4 F16 N9 O5 Zn2
• 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: 7.6091 ± 0.0007 Å
• b: 14.2283 ± 0.0015 Å
• c: 18.693 ± 0.002 Å
• α: 111.154 ± 0.004°
• β: 91.646 ± 0.004°
• γ: 102.494 ± 0.004°
• Cell volume: 1830 ± 0.3 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: 0.0989
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No