Information card for entry 4342487

Structure parameters

• Common name: M2L3OH
• Formula: C90 H78 B4 Co2 F16 N18 O6
• Calculated formula: C90 H78 B1.5 Co2 F6 N18 O6
• Title of publication: An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.
• Authors of publication: Cullen, William; Hunter, Christopher A.; Ward, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2626 - 2637
• a: 18.885 ± 0.003 Å
• b: 18.885 ± 0.003 Å
• c: 101.44 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31331 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.2427
• Residual factor for significantly intense reflections: 0.1876
• Weighted residual factors for significantly intense reflections: 0.4864
• Weighted residual factors for all reflections included in the refinement: 0.5191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.692
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No