Information card for entry 7021651

Structure parameters

• Common name: CFA-1
• Formula: C44 H30 N18 O8 Zn5
• Calculated formula: C44 H29.97 N18 O7.98 Zn5
• Title of publication: CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.
• Authors of publication: Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10786 - 10797
• a: 17.75 ± 0.003 Å
• b: 17.75 ± 0.003 Å
• c: 19.192 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5236.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No