Information card for entry 2312380

Structure parameters

• Formula: C51 H53 N5 Na2 O17
• Calculated formula: C51 H53 N5 Na2 O17
• Title of publication: 1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
• Authors of publication: Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 1
• a: 9.0522 ± 0.0004 Å
• b: 10.7406 ± 0.0004 Å
• c: 15.0867 ± 0.0005 Å
• α: 71.631 ± 0.003°
• β: 76.965 ± 0.004°
• γ: 68.737 ± 0.004°
• Cell volume: 1287.01 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes