Information card for entry 7231839

Structure parameters

• Formula: C26 H18 Cl2 N4 O4
• Calculated formula: C26 H18 Cl2 N4 O4
• 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: 4.9197 ± 0.0009 Å
• b: 9.297 ± 0.002 Å
• c: 12.906 ± 0.003 Å
• α: 109.588 ± 0.015°
• β: 98.253 ± 0.015°
• γ: 91.039 ± 0.016°
• Cell volume: 549 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No