Information card for entry 7007425

Structure parameters

• Formula: C172 H182 Cl4 F16 Mo8 N16 O43
• Calculated formula: C172 H178 Cl4 F16 Mo8 N16 O43
• Title of publication: Dynamic equilibrium between cyclic oligomers. Thermodynamic and structural characterization of a square and a triangle.
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3900 - 3905
• a: 12.792 ± 0.006 Å
• b: 19.661 ± 0.01 Å
• c: 20.805 ± 0.01 Å
• α: 85.705 ± 0.009°
• β: 89.699 ± 0.008°
• γ: 78.322 ± 0.009°
• Cell volume: 5110 ± 4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2473
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No