Information card for entry 7247891

Structure parameters

• Formula: C26 H24 F6 N8 O11 S2 Zn
• Calculated formula: C26 H18 F6 N8 O8 S2 Zn
• Title of publication: Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers
• Authors of publication: Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 504 - 516
• a: 18.3983 ± 0.0014 Å
• b: 18.9979 ± 0.0014 Å
• c: 10.4012 ± 0.0007 Å
• α: 90°
• β: 97.843 ± 0.007°
• γ: 90°
• Cell volume: 3601.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.3139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No