Information card for entry 4518267

Structure parameters

• Formula: C132 H112 N10 Zn
• Calculated formula: C132 H112 N10 Zn
• Title of publication: Large Non-planar Conjugated Molecule with Strong Intermolecular Interactions Achieved with Homoleptic Zn(II) Complex of Di(5-quinolylethynyl)-tetraphenylazadipyrromethene
• Authors of publication: Lu, Chenwei; Wang, Chunlai; Jimenez, Jayvic C.; Rheingold, Arnold L.; Sauvé, Genevieve
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 15.6719 ± 0.0016 Å
• b: 17.744 ± 0.0015 Å
• c: 20.2811 ± 0.0019 Å
• α: 75.588 ± 0.003°
• β: 83.904 ± 0.003°
• γ: 69.178 ± 0.003°
• Cell volume: 5104.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1047
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No