Information card for entry 7713743

Structure parameters

• Formula: C58 H46.68 B2 Cu2 F8 N2 O0.34 P4 S4
• Calculated formula: C58 H46.68 B2 Cu2 F8 N2 O0.34 P4 S4
• Title of publication: Dicationic Copper(I) Complexes Bearing ENE (E = S, Se) Pincer Ligands; Catalytic Applications in Regioselective Cyclization of 1,6-diynes
• Authors of publication: Das, Bhagyashree Ms; Sahoo, Amiya Kumar; Banjare, Shyam Kumar; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 26.632 ± 0.0008 Å
• b: 13.0574 ± 0.0004 Å
• c: 17.0639 ± 0.0004 Å
• α: 90°
• β: 95.917 ± 0.002°
• γ: 90°
• Cell volume: 5902.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No