Information card for entry 7248787

Structure parameters

• Formula: C56 H44 Cu2 N10 O12
• Calculated formula: C56 H44 Cu2 N10 O12
• 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: 10.8808 ± 0.0003 Å
• b: 11.1603 ± 0.0003 Å
• c: 12.5136 ± 0.0003 Å
• α: 111.044 ± 0.002°
• β: 107.145 ± 0.002°
• γ: 95.432 ± 0.002°
• Cell volume: 1320.49 ± 0.07 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.056
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No