Information card for entry 7241329

Structure parameters

• Formula: C133 H115 N9 O16 Zn2
• Calculated formula: C133 H115 N9 O16 Zn2
• 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: 14.07 ± 0.003 Å
• b: 14.72 ± 0.003 Å
• c: 15.43 ± 0.003 Å
• α: 66.56 ± 0.03°
• β: 67.55 ± 0.03°
• γ: 76.46 ± 0.03°
• Cell volume: 2697 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0493
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No