Information card for entry 1575759

Structure parameters

• Formula: C58 H48 Br3 Cl4 Cu3 O2 P4
• Calculated formula: C58 H48 Br3 Cl4 Cu3 O2 P4
• Title of publication: Trinuclear copper(I) furanyl <i>ortho</i>-diphosphine halide clusters: structure, photophysical and photocatalytic hydrogen production properties.
• Authors of publication: Chen, Xiang; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Cong, Heng-Jiang; Li, Feng-Yan; Zhao, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 40
• Pages of publication: 15223 - 15234
• a: 13.87931 ± 0.00005 Å
• b: 25.12831 ± 0.00008 Å
• c: 18.02014 ± 0.00007 Å
• α: 90°
• β: 111.48 ± 0.0004°
• γ: 90°
• Cell volume: 5848.27 ± 0.04 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.0553
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No