Information card for entry 7242603

Structure parameters

• Common name: carboxylated pillar[5]arene coordination complex with Sr(II)
• Formula: C61 H79 O39.5 Sr
• Calculated formula: C61 H66 O39.54 Sr
• 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: 12.8565 ± 0.0004 Å
• b: 13.5028 ± 0.0005 Å
• c: 20.6644 ± 0.0006 Å
• α: 72.641 ± 0.003°
• β: 75.515 ± 0.002°
• γ: 84.414 ± 0.002°
• Cell volume: 3314.1 ± 0.2 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: 0.0948
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No