Information card for entry 7105170

Structure parameters

• Formula: C45 H52 N4 O17 Zn2
• Calculated formula: C45 H52 N4 O17 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: 6.9314 ± 0.0014 Å
• b: 12.382 ± 0.002 Å
• c: 27.738 ± 0.005 Å
• α: 96.641 ± 0.003°
• β: 91.231 ± 0.002°
• γ: 104.221 ± 0.002°
• Cell volume: 2289.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No