Information card for entry 1571800

Structure parameters

• Formula: C58 H48 Cl N7 Pd2
• Calculated formula: C58 H47 Cl N7 Pd2
• Title of publication: The unprecedented strong paratropic ring current of a bis-Pd^II complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).
• Authors of publication: Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11402 - 11407
• a: 14.5782 ± 0.0003 Å
• b: 19.0441 ± 0.0004 Å
• c: 16.8698 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4683.5 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No