Information card for entry 1571714

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: 12.1732 ± 0.0004 Å
• b: 15.6437 ± 0.0003 Å
• c: 24.1466 ± 0.0004 Å
• α: 72.6545 ± 0.0016°
• β: 80.455 ± 0.002°
• γ: 79.266 ± 0.002°
• Cell volume: 4282.49 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No