Information card for entry 7132831

Structure parameters

• Formula: C98 H72 Cl4 Cu2 F20 N8
• Calculated formula: C78 H26 Cu2 F20 N8
• Title of publication: Benzene-fused porphyrin(2.1.2.1) array: synthesis, structure, and electrocatalytic hydrogen evolution.
• Authors of publication: Dong, Yuting; Qian, Long; Chen, Feng; Wang, Yue; Zhang, Tao; Qiu, Fengxian; Teranishi, Toshiharu; Xue, Songlin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 29
• Pages of publication: 3986 - 3989
• a: 17.46 ± 0.02 Å
• b: 22.68 ± 0.03 Å
• c: 14.222 ± 0.019 Å
• α: 90°
• β: 95.69 ± 0.04°
• γ: 90°
• Cell volume: 5604 ± 12 ų
• Cell temperature: 202.2 K
• Ambient diffraction temperature: 202.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3117
• Weighted residual factors for all reflections included in the refinement: 0.3325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No