Information card for entry 7248793

Structure parameters

• Formula: C134 H146 N26 Ni3 O34 S2
• Calculated formula: C134 H146 N26 Ni3 O34 S2
• 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: 13.6311 ± 0.0001 Å
• b: 30.6414 ± 0.0001 Å
• c: 16.9666 ± 0.0001 Å
• α: 90°
• β: 104.013 ± 0.001°
• γ: 90°
• Cell volume: 6875.65 ± 0.07 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No