Information card for entry 7235251

Structure parameters

• Chemical name: 2,2'-(Ethane-1,2-diylbis(azanediyl))bis(1-ethylpyridin-1-ium) chloride
• Formula: C16 H24 I2 N4
• Calculated formula: C16 H24 I2 N4
• Title of publication: Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions
• Authors of publication: Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 65
• Pages of publication: 37986
• a: 25.3399 ± 0.0009 Å
• b: 25.3399 ± 0.0009 Å
• c: 8.0684 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4486.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0992
• 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: Yes
• Has Fobs: No