Information card for entry 7133731

Structure parameters

• Formula: C64 H88 Cu4 N12
• Calculated formula: C64 H88 Cu4 N12
• Title of publication: Facile interconversion of mesitylcopper into a CuMes-Cu₂bis(amidinate) triangle and a tetracuprous Möbius strip.
• Authors of publication: Dowling, Keri; Kruczyński, Tomasz; Dutta, Sanjay; Le, D. P. Ngan; Gozem, Samer; McMillen, Colin D.; Bhuvanesh, Nattamai; Stollenz, Michael
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11136 - 11139
• a: 12.4666 ± 0.0003 Å
• b: 15.477 ± 0.0004 Å
• c: 17.6182 ± 0.0004 Å
• α: 91.7413 ± 0.0014°
• β: 90.1643 ± 0.0014°
• γ: 110.609 ± 0.0013°
• Cell volume: 3180.01 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No