Information card for entry 7058728

Structure parameters

• Formula: C96 H80 Cu4 In P3 Se7
• Calculated formula: C96 H80 Cu4 In P3 Se7
• Title of publication: Synthesis and characterisation of [Cu4In(PPh3)3SePh(μ-SePh)3(μ3-SePh)3], and its application as a precursor of a sensitizer for a photocatalyst
• Authors of publication: Mello, Melina de Azevedo; Rodrigues, Jéssica Fonseca; Salgueiro Soares, Thiago André; Silva, Germana Michelle de Medeiros e; Piquini, Paulo Cesar; Tirloni, Bárbara; Machado, Giovanna; Lang, Ernesto Schulz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 14196
• a: 14.6082 ± 0.0004 Å
• b: 25.0963 ± 0.0007 Å
• c: 24.911 ± 0.0006 Å
• α: 90°
• β: 98.929 ± 0.001°
• γ: 90°
• Cell volume: 9022 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No