Information card for entry 7702008

Structure parameters

• Formula: C35.5 H42 Cl3 N8 O18.5 Zn2
• Calculated formula: C35.5 H42 Cl3 N8 O18.5 Zn2
• Title of publication: Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.
• Authors of publication: Bodman, Samantha E.; Fitchett, Christopher M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12606 - 12613
• a: 24.2049 ± 0.0007 Å
• b: 24.8897 ± 0.0008 Å
• c: 14.9855 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9028.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No