Information card for entry 7133711

Structure parameters

• Formula: C50 H72 B N7 Zn
• Calculated formula: C50 H72 B N7 Zn
• Title of publication: Hypervalent zinc(I) complexes with an <i>NNNN</i>-macrocycle: C-H bond activation across the zinc(I)-zinc(I) bond.
• Authors of publication: Mahawar, Pritam; Rajeshkumar, Thayalan; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11359 - 11362
• a: 9.11732 ± 0.00017 Å
• b: 21.9011 ± 0.0004 Å
• c: 23.9707 ± 0.0005 Å
• α: 90°
• β: 98.7183 ± 0.0015°
• γ: 90°
• Cell volume: 4731.15 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No