Information card for entry 7247889

Structure parameters

• Formula: C18 H22 Cl2 Cu N8 O10
• Calculated formula: C18 H22 Cl2 Cu N8 O10
• 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: 9.6542 ± 0.0007 Å
• b: 15.3891 ± 0.0012 Å
• c: 16.7669 ± 0.0016 Å
• α: 90°
• β: 97.803 ± 0.003°
• γ: 90°
• Cell volume: 2468 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No