Information card for entry 7007426

Structure parameters

• Formula: C124.5 H120 Cl7 F12 Mo6 N12 O28.5
• Calculated formula: C124.5 H90 Cl7 F12 Mo6 N12 O28.501
• 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: 12.657 ± 0.005 Å
• b: 20.015 ± 0.007 Å
• c: 29.685 ± 0.011 Å
• α: 103.632 ± 0.007°
• β: 100.921 ± 0.006°
• γ: 97.011 ± 0.006°
• Cell volume: 7066 ± 5 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No