Information card for entry 7032953

Structure parameters

• Common name: compound 1
• Formula: C28 H36 N6 O12 Zn
• Calculated formula: C28 H30 N6 O12.198 Zn
• 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: 12.4693 ± 0.0007 Å
• b: 13.2851 ± 0.0007 Å
• c: 13.1755 ± 0.0007 Å
• α: 112.301 ± 0.0011°
• β: 105.397 ± 0.0012°
• γ: 97.7284 ± 0.0012°
• Cell volume: 1877.97 ± 0.18 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: 0.1023
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No