Information card for entry 7231840

Structure parameters

• Formula: C28 H19 Cl2 N5 O4 Zn
• Calculated formula: C28 H19 Cl2 N5 O4 Zn
• 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: 10.8226 ± 0.0004 Å
• b: 23.0562 ± 0.0008 Å
• c: 10.5332 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2628.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No