Information card for entry 7702006

Structure parameters

• Formula: C75 H47 Cl4 N13 O8 Zn
• Calculated formula: C75 H47 Cl4 N13 O8 Zn
• 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: 17.67812 ± 0.00017 Å
• b: 14.09099 ± 0.00013 Å
• c: 26.4871 ± 0.0002 Å
• α: 90°
• β: 102.406 ± 0.0009°
• γ: 90°
• Cell volume: 6443.94 ± 0.1 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No