Information card for entry 7122684

Structure parameters

• Formula: C72 H68 Cd2 N8 O18
• Calculated formula: C72 H68 Cd2 N8 O18
• 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: 17.463 ± 0.004 Å
• b: 30.555 ± 0.006 Å
• c: 30.775 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16421 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No