Information card for entry 1572500

Structure parameters

• Formula: C64.42 H69.04 Cu11 F12 N3.12 O10.17
• Calculated formula: C64 H68 Cu11 F12 N3 O10
• 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: 14.8797 ± 0.0009 Å
• b: 15.9071 ± 0.0009 Å
• c: 19.7103 ± 0.0013 Å
• α: 98.802 ± 0.002°
• β: 109.142 ± 0.002°
• γ: 108.741 ± 0.002°
• Cell volume: 3995.8 ± 0.4 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: 0.0615
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No