Information card for entry 7247893

Structure parameters

• Formula: C28 H26 Cu F6 N8 O8 S2
• Calculated formula: C28 H26 Cu F6 N8 O8 S2
• 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: 6.8471 ± 0.0004 Å
• b: 7.8394 ± 0.0005 Å
• c: 16.1936 ± 0.0009 Å
• α: 77.929 ± 0.004°
• β: 85.53 ± 0.004°
• γ: 80.67 ± 0.004°
• Cell volume: 837.89 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.2945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No