Information card for entry 7711856

Structure parameters

• Formula: C121 H223.5 Cr11 Cu2 F15 N4.5 O44
• Calculated formula: C121 H223.5 Cr11 Cu2 F15 N4.5 O44
• 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: 21.8291 ± 0.0005 Å
• b: 29.6847 ± 0.0007 Å
• c: 31.7603 ± 0.0006 Å
• α: 71.668 ± 0.002°
• β: 73.433 ± 0.002°
• γ: 70.962 ± 0.002°
• Cell volume: 18081.2 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.108
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No