Information card for entry 7014482

Structure parameters

• Formula: C23 H19 Cu N6 O5
• Calculated formula: C23 H17 Cu N6 O5
• Title of publication: Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.
• Authors of publication: Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 793 - 804
• a: 28.6 ± 0.004 Å
• b: 11.5539 ± 0.0014 Å
• c: 17.686 ± 0.002 Å
• α: 90°
• β: 116.123 ± 0.002°
• γ: 90°
• Cell volume: 5247.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No