Information card for entry 7712161

Structure parameters

• Formula: C37 Cu I N6 P
• Calculated formula: C37 Cu I N6 P
• SMILES: I[Cu]1([P](c2ccccc2)(c2ccccc2)c2n(nnc2c2ncccc2)c2ccccc2)[n]2cccc3c2c2[n]1cccc2cc3
• 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: 12.6389 ± 0.0002 Å
• b: 16.3194 ± 0.0002 Å
• c: 15.3635 ± 0.0002 Å
• α: 90°
• β: 91.751 ± 0.001°
• γ: 90°
• Cell volume: 3167.38 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No