Information card for entry 7248790

Structure parameters

• Formula: C76 H55 N14 Ni2 O10.5
• Calculated formula: C76 H55 N14 Ni2 O10.5
• 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: 11.2569 ± 0.0011 Å
• b: 13.4025 ± 0.0017 Å
• c: 13.5086 ± 0.0013 Å
• α: 61.328 ± 0.011°
• β: 71.172 ± 0.009°
• γ: 75.382 ± 0.01°
• Cell volume: 1680.8 ± 0.4 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: 0.0989
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1493
• 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: No
• Has Fobs: No