Information card for entry 7248794

Structure parameters

• Formula: C128 H136 N24 Ni3 O34 S2
• Calculated formula: C116 H80 N20 Ni3 O16 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: 13.6178 ± 0.0001 Å
• b: 29.7718 ± 0.0002 Å
• c: 17.1157 ± 0.0002 Å
• α: 90°
• β: 104.098 ± 0.001°
• γ: 90°
• Cell volume: 6730.15 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0911
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No