Information card for entry 7206930

Structure parameters

• Formula: C15 H17 I N6 O6 Zn
• Calculated formula: C15 H17 I N6 O6 Zn
• Title of publication: Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties
• Authors of publication: Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 590
• a: 10.1291 ± 0.001 Å
• b: 16.9901 ± 0.0017 Å
• c: 12.3894 ± 0.0012 Å
• α: 90°
• β: 107.66 ± 0.001°
• γ: 90°
• Cell volume: 2031.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No