Information card for entry 1571716

Structure parameters

• Formula: C160 H164 N14 Ni3
• Calculated formula: C160 H164 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: 19.5178 ± 0.0005 Å
• b: 27.725 ± 0.0009 Å
• c: 28.7677 ± 0.0006 Å
• α: 104.436 ± 0.002°
• β: 95.669 ± 0.002°
• γ: 104.971 ± 0.003°
• Cell volume: 14340.6 ± 0.7 ų
• Cell temperature: 100.27 ± 0.1 K
• Ambient diffraction temperature: 100.27 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.3045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No