Information card for entry 7702005

Structure parameters

• Formula: C50 H42 Cl4 N16 O16 Zn2
• Calculated formula: C50 H42 Cl4 N16 O16 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: 24.8564 ± 0.0008 Å
• b: 18.7724 ± 0.0006 Å
• c: 12.3412 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5758.6 ± 0.3 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No