Information card for entry 7048446

Structure parameters

• Formula: C78 H66 Cd2 N14 O12
• Calculated formula: C78 H62 Cd2 N14 O12
• Title of publication: Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.
• Authors of publication: Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1900 - 1905
• a: 10.2023 ± 0.0012 Å
• b: 11.5349 ± 0.0014 Å
• c: 17.274 ± 0.002 Å
• α: 99.987 ± 0.001°
• β: 93.293 ± 0.001°
• γ: 103.859 ± 0.001°
• Cell volume: 1933.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No