Information card for entry 7710711

Structure parameters

• Formula: C65 H54 Cd3 N3 O21
• Calculated formula: C65 H54 Cd3 N3 O21
• Title of publication: Acridine based metal-organic framework host-guest featuring efficient photoelectrochemical-type photodetector and white LED
• Authors of publication: Wang, Huarui; Tian, Xu-Ke; Zhang, Ji-Rui; Wen, Meng-Yao; Yang, Xiao-Gang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.3911 ± 0.0004 Å
• b: 17.2576 ± 0.0007 Å
• c: 19.1393 ± 0.0007 Å
• α: 108.185 ± 0.003°
• β: 100.971 ± 0.003°
• γ: 107.234 ± 0.003°
• Cell volume: 2959.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No