Information card for entry 7122683

Structure parameters

• Formula: C77.5 H74.5 Cd2 N8.5 O20.5
• Calculated formula: C77.5 H74.5 Cd2 N8.5 O20.5
• Title of publication: Elucidation of naphthalene diimide metallomacrocycles and catenanes by solvent dependent excimer and exciplex emission
• Authors of publication: Boer, Stephanie A.; Cox, Rosalind P.; Beards, Michael; Wang, Huixin; Donald, William; Bell, Toby D. M.; Turner, David Roger
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 27.9956 ± 0.0005 Å
• b: 14.8843 ± 0.0002 Å
• c: 18.7743 ± 0.0002 Å
• α: 90°
• β: 107.158 ± 0.0017°
• γ: 90°
• Cell volume: 7475 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No