Information card for entry 4135113

Structure parameters

• Common name: 1
• Formula: C30 H21 Cl2 N6 O4
• Calculated formula: C30 H21 Cl2 N6 O4
• Title of publication: Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.
• Authors of publication: Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.7314 ± 0.0008 Å
• b: 14.6585 ± 0.0008 Å
• c: 15.0308 ± 0.0011 Å
• α: 90°
• β: 102.22 ± 0.007°
• γ: 90°
• Cell volume: 2741.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2213
• Residual factor for significantly intense reflections: 0.1583
• Weighted residual factors for significantly intense reflections: 0.4739
• Weighted residual factors for all reflections included in the refinement: 0.5385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No