Information card for entry 7133309

Structure parameters

• Common name: Cd-4TPHAP
• Formula: C49.22 H31.49 Cd N18 O16.9
• Calculated formula: C49.213 H31.485 Cd N18 O16.88
• Title of publication: Magnetic and thermodynamic control of coordination network crystallization using a hexaazaphenalene-based ligand.
• Authors of publication: Jiang, Qiao; Suzuki, Hiroaki; Wada, Yuki; Wang, Xiaohan; Murakami, Yoichi; Matsumoto, Takaya; Usov, Pavel M.; Kawano, Masaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 63
• Pages of publication: 8236 - 8239
• a: 30.3621 ± 0.0003 Å
• b: 7.9636 ± 0.0001 Å
• c: 28.193 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6816.83 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No