Information card for entry 7105171

Structure parameters

• Common name: 3
• Formula: C36 H32 N O13 Zn2
• Calculated formula: C36 H32 N O13 Zn2
• 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: 32.084 ± 0.006 Å
• b: 12.458 ± 0.002 Å
• c: 30.972 ± 0.006 Å
• α: 90°
• β: 116.899 ± 0.005°
• γ: 90°
• Cell volume: 11040 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No