Information card for entry 7105038

Structure parameters

• Formula: C81 H90 Fe2 N12
• Calculated formula: C81 H90 Fe2 N12
• Title of publication: A triple-stranded helicate and mesocate from the same metal and ligand.
• Authors of publication: Zhang, Zhan; Dolphin, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 6931 - 6933
• a: 15.0249 ± 0.0011 Å
• b: 15.0249 ± 0.0011 Å
• c: 24.422 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4774.6 ± 0.6 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No