Information card for entry 7201042

Structure parameters

• Formula: C61 H59 Cu3 N7 O19 S3
• Calculated formula: C55 H35 Cu3 N7 O14
• Title of publication: A three-dimensional metal‒organic framework based on a triazine derivative: syntheses, structure analysis, and sorption studies
• Authors of publication: Guo, Zhiyong; Yu, Jiangbo; Li, Guanghua; Si, Zhenjun; Guo, Huadong; Zhang, Hongjie
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2254
• a: 29.3618 ± 0.0006 Å
• b: 29.3618 ± 0.0006 Å
• c: 37.1534 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32030.5 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No