Information card for entry 7712162

Structure parameters

• Formula: C50 H38 Br2 Cu2 N8 P2
• Calculated formula: C50 H38 Br2 Cu2 N8 P2
• Title of publication: Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.
• Authors of publication: Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1785 - 1796
• a: 9.6861 ± 0.0002 Å
• b: 13.5067 ± 0.0003 Å
• c: 17.6907 ± 0.0004 Å
• α: 90°
• β: 95.2177 ± 0.0019°
• γ: 90°
• Cell volume: 2304.84 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 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: 0.0795
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No