Information card for entry 7133308

Structure parameters

• Common name: Cd-4TPHAP-1
• Formula: C53.67 H34.45 Cd2 Cl2 N18 O22.05
• Calculated formula: C53.6746 H34.454 Cd2 Cl2 N18 O22.0578
• 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: 11.8103 ± 0.0001 Å
• b: 12.5965 ± 0.0002 Å
• c: 13.3862 ± 0.0002 Å
• α: 80.395 ± 0.001°
• β: 84.225 ± 0.001°
• γ: 78.443 ± 0.001°
• Cell volume: 1919.06 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No