Information card for entry 7711857

Structure parameters

• Formula: C126.8 H240.11 Cr11.27 F15.27 N4 O46.26 Zn1.74
• Calculated formula: C126.796 H240.098 Cr11.283 F15.283 N4 O46.253 Zn1.718
• Title of publication: Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr₁₁M₂} complexes.
• Authors of publication: Alotaibi, Rajeh; Brookfield, Adam; Fowler, Jonathan M.; Whitehead, George F. S.; Lockyer, Selena J.; Timco, Grigore A.; Collison, David; Schnack, Jürgen; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 20 - 23
• a: 20.266 ± 0.0006 Å
• b: 21.0542 ± 0.0006 Å
• c: 24.7966 ± 0.0006 Å
• α: 82.82 ± 0.002°
• β: 77.658 ± 0.002°
• γ: 62.886 ± 0.003°
• Cell volume: 9195.3 ± 0.5 ų
• Cell temperature: 150.06 ± 0.14 K
• Ambient diffraction temperature: 150.06 ± 0.14 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: 0.0921
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No