Information card for entry 7707510

Structure parameters

• Formula: C42 H54 N4 Si2
• Calculated formula: C42 H54 N4 Si2
• Title of publication: [2 ×2] metallo-supramolecular grids based on 4,6-bis((1<i>H</i>-1,2,3-triazol-4-yl)-pyridin-2-yl)-2-phenylpyrimidine ligands: from discrete [2 ×2] grid structures to star-shaped supramolecular polymeric architectures.
• Authors of publication: Xu, Xiaowen; Seiffert, Anne K.; Lenaerts, Ruben; Ryskulova, Kanykei; Jana, Somdeb; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8746 - 8751
• a: 17.6814 ± 0.0002 Å
• b: 18.1633 ± 0.0002 Å
• c: 12.39478 ± 0.00016 Å
• α: 90°
• β: 95.6934 ± 0.0012°
• γ: 90°
• Cell volume: 3960.98 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No