Information card for entry 4501587

Structure parameters

• Formula: C60 H36 F12 N6 O12 Zn3
• Calculated formula: C60 H36 F12 N6 O12 Zn3
• Title of publication: Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates
• Authors of publication: Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2041
• a: 10.395 ± 0.003 Å
• b: 11.79 ± 0.003 Å
• c: 13.331 ± 0.003 Å
• α: 102.902 ± 0.004°
• β: 110.679 ± 0.004°
• γ: 107.159 ± 0.004°
• Cell volume: 1359 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No