Information card for entry 7214552

Structure parameters

• Formula: C60 H46 N12 O10 Zn2
• Calculated formula: C60 H46 N12 O10 Zn2
• Title of publication: Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands
• Authors of publication: He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9437
• a: 10.1203 ± 0.0019 Å
• b: 12.479 ± 0.002 Å
• c: 12.856 ± 0.002 Å
• α: 114.531 ± 0.002°
• β: 100.79 ± 0.002°
• γ: 92.305 ± 0.002°
• Cell volume: 1438.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No