Information card for entry 7126030

Structure parameters

• Formula: C42 H40 Cu2 N8 Ne3.5
• Calculated formula: C42 H40 Cu2 N8 Ne3.5
• Title of publication: Pressure-induced inclusion of neon in the crystal structure of a molecular Cu₂(pacman) complex at 4.67 GPa.
• Authors of publication: Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 23
• Pages of publication: 3449 - 3452
• a: 24.259 ± 0.006 Å
• b: 9.2882 ± 0.0015 Å
• c: 26.841 ± 0.004 Å
• α: 90°
• β: 84.039 ± 0.008°
• γ: 90°
• Cell volume: 6015 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 4.67 kPa
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No