Information card for entry 7063745

Structure parameters

• Formula: C59 H51 Br Cl2 Cu N P2
• Calculated formula: C59 H51 Br Cl2 Cu N P2
• Title of publication: Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction
• Authors of publication: Gourkhede, Rani; Balakrishna, Maravanji S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 7749 - 7757
• a: 19.9265 ± 0.0003 Å
• b: 12.6727 ± 0.0003 Å
• c: 19.4682 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4916.16 ± 0.17 ų
• Cell temperature: 109 ± 0.1 K
• Ambient diffraction temperature: 109 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No