Information card for entry 7062533

Structure parameters

• Formula: C42 H37 Br0.179 Cu I0.821 N7 P2
• Calculated formula: C42 H37 Br0.179 Cu I0.821 N7 P2
• Title of publication: 1,2,3-Triazolyl bisphosphine with pyridyl functionality: synthesis, copper(i) chemistry and application in click catalysis
• Authors of publication: Sheokand, Sonu; Mohite, Manali A.; Mondal, Dipanjan; Rangarajan, Shalini; Balakrishna, Maravanji S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 13538 - 13546
• a: 10.2428 ± 0.001 Å
• b: 26.91 ± 0.002 Å
• c: 14.2499 ± 0.0013 Å
• α: 90°
• β: 95.008 ± 0.003°
• γ: 90°
• Cell volume: 3912.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.042
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No