Information card for entry 7133719

Structure parameters

• Formula: C48 H72 Cu4 F12 N8
• Calculated formula: C48 H72 Cu4 F12 N8
• Title of publication: Rigidochromism of tetranuclear Cu(I)-pyrazolate macrocycles: steric crowding with trifluoromethyl groups.
• Authors of publication: Rajagopal, Shinaj K.; Zeller, Matthias; Savikhin, Sergei; Slipchenko, Lyudmila V.; Wei, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11307 - 11310
• a: 10.809 ± 0.004 Å
• b: 26.109 ± 0.01 Å
• c: 20.432 ± 0.007 Å
• α: 90°
• β: 98.96 ± 0.02°
• γ: 90°
• Cell volume: 5696 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No