Information card for entry 1557734

Structure parameters

• Formula: C96 H68 Cu4 N12 O18 S2
• Calculated formula: C96 H68 Cu4 N12 O18 S2
• Title of publication: Sequential Ag⁺/biothiol and synchronous Ag⁺/Hg²⁺ biosensing with zwitterionic Cu²⁺-based metal-organic frameworks.
• Authors of publication: Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua
• Journal of publication: The Analyst
• Year of publication: 2020
• Journal volume: 145
• Journal issue: 7
• Pages of publication: 2779 - 2788
• a: 11.3364 ± 0.0011 Å
• b: 22.492 ± 0.002 Å
• c: 24.752 ± 0.002 Å
• α: 66.251 ± 0.002°
• β: 88.427 ± 0.002°
• γ: 82.262 ± 0.002°
• Cell volume: 5721.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1733
• Residual factor for significantly intense reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.3449
• Weighted residual factors for all reflections included in the refinement: 0.3723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No