Information card for entry 1572501

Structure parameters

• Formula: C78.19 H88 Cu12.5 F7.66 N2 O9.91
• Calculated formula: C78.176 H88 Cu12.504 F7.662 N2 O9.908
• 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: 23.8539 ± 0.0002 Å
• b: 15.6243 ± 0.0001 Å
• c: 24.1728 ± 0.0002 Å
• α: 90°
• β: 108.495 ± 0.001°
• γ: 90°
• Cell volume: 8543.9 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No