Information card for entry 7023925

Structure parameters

• Formula: C54 H46 Co2 N14 O14 S3
• Calculated formula: C54 H46 Co2 N14 O14 S3
• Title of publication: New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.
• Authors of publication: Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16375 - 16386
• a: 22.9568 ± 0.0015 Å
• b: 13.2642 ± 0.0009 Å
• c: 19.3659 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5897 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No