Information card for entry 7206655

Structure parameters

• Formula: C87 H61 Cu6 N15 O2
• Calculated formula: C87 H57 Cu6 N15
• Title of publication: Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands
• Authors of publication: Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6759
• a: 32.9876 ± 0.0014 Å
• b: 15.2044 ± 0.0006 Å
• c: 15.3966 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7722.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No