Information card for entry 7245230

Structure parameters

• Formula: C55 H43 Cd2 N9 O13
• Calculated formula: C55 H36 Cd2 N9 O13
• Title of publication: A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes
• Authors of publication: Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.7456 ± 0.0005 Å
• b: 36.5825 ± 0.0016 Å
• c: 15.7867 ± 0.0007 Å
• α: 90°
• β: 98.164 ± 0.001°
• γ: 90°
• Cell volume: 6142.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No