Information card for entry 1571710

Structure parameters

• Formula: C160 H170 N14 Ni3
• Calculated formula: C160 H170 N14 Ni3
• Title of publication: Synthesis of NiII Porphyrin—NiII 5,15-Diazaporphyrin Hybrid Tapes
• Authors of publication: Song, Jianxin; Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 20.2235 ± 0.0011 Å
• b: 30.1037 ± 0.0007 Å
• c: 27.7552 ± 0.0007 Å
• α: 90°
• β: 108.649 ± 0.004°
• γ: 90°
• Cell volume: 16010.2 ± 1.1 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 4
• 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: 0.171
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.3239
• Weighted residual factors for all reflections included in the refinement: 0.3921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No