Information card for entry 7105172

Structure parameters

• Common name: 4
• Formula: C33 H24 O12 Zn
• Calculated formula: C33 H24 O12 Zn
• Title of publication: Flexible metal-organic supramolecular isomers for gas separation.
• Authors of publication: Kishan, Motkuri Radha; Tian, Jian; Thallapally, Praveen K; Fernandez, Carlos A; Dalgarno, Scott J; Warren, John E; McGrail, B Peter; Atwood, Jerry L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 538 - 540
• a: 24.4646 ± 0.0019 Å
• b: 15.2591 ± 0.0011 Å
• c: 33.563 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12529.3 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No