Information card for entry 1572498

Structure parameters

• Formula: C78 H78 Cu10 F6 N6 O14
• Calculated formula: C68 H60 Cu10 F6 N4 O12
• Title of publication: Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands
• Authors of publication: Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17817 - 17824
• a: 11.6633 ± 0.0007 Å
• b: 18.9908 ± 0.0012 Å
• c: 20.1994 ± 0.0013 Å
• α: 81.451 ± 0.002°
• β: 89.413 ± 0.002°
• γ: 74.577 ± 0.002°
• Cell volume: 4263 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No