Information card for entry 7242604

Structure parameters

• Common name: carboxylated pillar[5]arene coordination complex with Sr(II) and phenanthroline
• Formula: C124 H136 N2 O77.5 Sr4
• Calculated formula: C123.008 H94.506 N2 O77.499 Sr4
• 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: 22.583 ± 0.0011 Å
• b: 23.6561 ± 0.0006 Å
• c: 26.736 ± 0.0011 Å
• α: 90°
• β: 95.186 ± 0.005°
• γ: 90°
• Cell volume: 14224.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1949
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2891
• Weighted residual factors for all reflections included in the refinement: 0.368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No