Information card for entry 7242605

Structure parameters

• Common name: carboxylated pillar[5]arene exclusion complex with phenanthroline
• Formula: C82.5 H86 N4 O36.3
• Calculated formula: C82.472 H76.416 N4 O36.308
• Title of publication: Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities
• Authors of publication: Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 3265 - 3269
• a: 13.9854 ± 0.0006 Å
• b: 14.3768 ± 0.0005 Å
• c: 23.0984 ± 0.0009 Å
• α: 73.904 ± 0.003°
• β: 72.539 ± 0.004°
• γ: 64.366 ± 0.004°
• Cell volume: 3935.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No