Information card for entry 7123872

Structure parameters

• Formula: C60 H68 N8 O4 Si4
• Calculated formula: C60 H68 N8 O4 Si4
• Title of publication: Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids
• Authors of publication: Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.7552 ± 0.0004 Å
• b: 13.695 ± 0.0004 Å
• c: 20.8774 ± 0.0006 Å
• α: 102.402 ± 0.001°
• β: 98.165 ± 0.002°
• γ: 106.58 ± 0.001°
• Cell volume: 3070.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0616
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No