Information card for entry 1570109

Structure parameters

• Formula: C180 H288 Cu57 F2 O42 P6 V6
• Calculated formula: C180 H288 Cu57 F2 O42 P6 V6
• Title of publication: Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
• Authors of publication: Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 12637 - 12644
• a: 20.003 ± 0.0017 Å
• b: 19.6485 ± 0.0016 Å
• c: 33.29 ± 0.003 Å
• α: 90°
• β: 95.12 ± 0.002°
• γ: 90°
• Cell volume: 13031.7 ± 1.9 ų
• Cell temperature: 301.6 K
• Ambient diffraction temperature: 301.6 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No