Information card for entry 4500604

Structure parameters

• Formula: C26 H18 I N3 O4 Zn
• Calculated formula: C26 H18 I N3 O4 Zn
• Title of publication: Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid
• Authors of publication: Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3395
• a: 9.926 ± 0.002 Å
• b: 10.815 ± 0.002 Å
• c: 13.742 ± 0.003 Å
• α: 106.53 ± 0.03°
• β: 94.87 ± 0.03°
• γ: 111.8 ± 0.03°
• Cell volume: 1282.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No