Information card for entry 1570115

Structure parameters

• Formula: C216 H276 Cu56 F Na O48 P12
• Calculated formula: C216 H276 Cu56 F Na O48 P12
• 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: 19.933 ± 0.002 Å
• b: 20.066 ± 0.003 Å
• c: 20.977 ± 0.003 Å
• α: 64.034 ± 0.003°
• β: 64.514 ± 0.003°
• γ: 74.588 ± 0.003°
• Cell volume: 6778.3 ± 1.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2543
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No