Information card for entry 7130772

Structure parameters

• Formula: C97 H193 Cl3 N48
• Calculated formula: C97 H193 Cl3 N48
• Title of publication: Triazine based eccentric Piedfort units towards a single source hydrogen bonded network
• Authors of publication: Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.1441 ± 0.0007 Å
• b: 22.1441 ± 0.0007 Å
• c: 96.226 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40864 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No