Information card for entry 7231838

Structure parameters

• Formula: C26 H22 Cl4 N4 O6 Zn
• Calculated formula: C26 H22 Cl4 N4 O6 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: 9.8295 ± 0.0005 Å
• b: 10.6901 ± 0.0005 Å
• c: 13.3737 ± 0.0007 Å
• α: 98.589 ± 0.002°
• β: 94.244 ± 0.002°
• γ: 97.801 ± 0.002°
• Cell volume: 1370.28 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No