Information card for entry 7213883

Structure parameters

• Formula: C31 H18 Co F6 N4 O4 S2
• Calculated formula: C31 H18 Co F6 N4 O4 S2
• Title of publication: Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands
• Authors of publication: Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 900
• a: 10.2077 ± 0.0006 Å
• b: 10.5027 ± 0.0006 Å
• c: 14.5086 ± 0.0009 Å
• α: 94.454 ± 0.001°
• β: 98.649 ± 0.001°
• γ: 91.289 ± 0.001°
• Cell volume: 1532.19 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No