Information card for entry 7240899

Structure parameters

• Formula: C26 H46 I2 Na2 O12
• Calculated formula: C26 H46 I2 Na2 O12
• Title of publication: Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer
• Authors of publication: Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.4111 ± 0.0009 Å
• b: 10.3053 ± 0.0011 Å
• c: 11.1643 ± 0.0012 Å
• α: 67.827 ± 0.002°
• β: 85.4 ± 0.003°
• γ: 79.241 ± 0.003°
• Cell volume: 880.34 ± 0.16 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.2656
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No