Information card for entry 7231836

Structure parameters

• Formula: C28 H18 N4 O5
• Calculated formula: C28 H18 N4 O5
• Title of publication: Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
• Authors of publication: Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 2
• Pages of publication: 207
• a: 19.4892 ± 0.0005 Å
• b: 21.6795 ± 0.0005 Å
• c: 10.5043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4438.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No