Information card for entry 7248788

Structure parameters

• Formula: C20 H16 N6 O6
• Calculated formula: C20 H16 N6 O6
• Title of publication: Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties
• Authors of publication: Marttinen, Antti; Lahtinen, Manu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.1723 ± 0.0001 Å
• b: 10.3009 ± 0.0001 Å
• c: 13.3438 ± 0.0001 Å
• α: 90°
• β: 99.696 ± 0.001°
• γ: 90°
• Cell volume: 971.773 ± 0.018 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No