Information card for entry 7241332

Structure parameters

• Formula: C102 H120 N6 O27 S4 Zn3
• Calculated formula: C102 H120 N6 O27 S4 Zn3
• Title of publication: Nuclearity control in calix[4]arene based zinc (II) coordination complexes
• Authors of publication: KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 26.971 ± 0.005 Å
• b: 23.006 ± 0.005 Å
• c: 35.506 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22031 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.79312 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No