Information card for entry 7133720

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: 10.7542 ± 0.0015 Å
• b: 33.091 ± 0.005 Å
• c: 33.101 ± 0.006 Å
• α: 104.128 ± 0.012°
• β: 95.625 ± 0.012°
• γ: 95.573 ± 0.01°
• Cell volume: 11278 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No