Information card for entry 4506409

Structure parameters

• Formula: C64 H62 N2 O16 S Zn3
• Calculated formula: C64 H40 N2 O16 S Zn3
• 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: 11.2055 ± 0.0002 Å
• b: 14.5219 ± 0.0003 Å
• c: 20.0027 ± 0.0004 Å
• α: 90°
• β: 101.338 ± 0.001°
• γ: 90°
• Cell volume: 3191.42 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No