Information card for entry 1571713

Structure parameters

• Formula: C128 H122 Cl5 F6 N10 Ni2 Sb
• Calculated formula: C128 H122 Cl5 F6 N10 Ni2 Sb
• 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: 16.6924 ± 0.0004 Å
• b: 19.0219 ± 0.0005 Å
• c: 21.9272 ± 0.0006 Å
• α: 80.695 ± 0.002°
• β: 71.43 ± 0.002°
• γ: 72.72 ± 0.002°
• Cell volume: 6284.6 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.2938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No