Information card for entry 7206654

Structure parameters

• Formula: C78 H63 Cu6 N15
• Calculated formula: C78 H63 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: 23.568 ± 0.003 Å
• b: 14.2616 ± 0.0016 Å
• c: 24.342 ± 0.004 Å
• α: 90°
• β: 118.922 ± 0.002°
• γ: 90°
• Cell volume: 7161.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No