Information card for entry 7201949

Structure parameters

• Formula: C44 H44 Co2 N16 S4
• Calculated formula: C44 H44 Co2 N16 S4
• Title of publication: Unprecedented trinodal 4-connected metal‒organic frameworks (MOFs) with 2-fold interpenetration
• Authors of publication: Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1027
• a: 37.034 ± 0.007 Å
• b: 11.725 ± 0.002 Å
• c: 23.127 ± 0.005 Å
• α: 90°
• β: 108.75 ± 0.03°
• γ: 90°
• Cell volume: 9509 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No