Information card for entry 4506408

Structure parameters

• Formula: C47 H41 N3 O12 Zn2
• Calculated formula: C47 H35 N3 O12 Zn2
• Title of publication: An Unusual Interweaving in a 3-Fold Interpenetrated Pillared-Layer Zn(II) Coordination Polymer with a Long Spacer Ligand
• Authors of publication: Park, In-Hyeok; Kim, Kihwan; Lee, Shim Sung; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3397
• a: 13.0735 ± 0.0003 Å
• b: 13.0828 ± 0.0003 Å
• c: 15.6584 ± 0.0003 Å
• α: 82.741 ± 0.001°
• β: 68.059 ± 0.001°
• γ: 84.188 ± 0.001°
• Cell volume: 2460.03 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No