Information card for entry 7032955

Structure parameters

• Common name: compound 3
• Formula: C60 H70 N12 O22 Zn2
• Calculated formula: C60 H68 N12 O22 Zn2
• Title of publication: Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules.
• Authors of publication: Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 12.4881 ± 0.0008 Å
• b: 13.2558 ± 0.0008 Å
• c: 13.2738 ± 0.0008 Å
• α: 112.019 ± 0.0015°
• β: 107.453 ± 0.0015°
• γ: 98.2194 ± 0.0016°
• Cell volume: 1860.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No