Information card for entry 4316981

Structure parameters

• Formula: C11 H6 Br N O4 Zn
• Calculated formula: C11 H6 Br N O4 Zn
• Title of publication: Two-Step Adsorption on Jungle-Gym-Type Porous Coordination Polymers: Dependence on Hydrogen-Bonding Capability of Adsorbates, Ligand-Substituent Effect, and Temperature
• Authors of publication: Kazuhiro Uemura; Yukari Yamasaki; Fumiaki Onishi; Hidetoshi Kita; Masahiro Ebihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10133 - 10143
• a: 14.627 ± 0.003 Å
• b: 16.176 ± 0.003 Å
• c: 9.6414 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2281.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.3476
• Weighted residual factors for all reflections included in the refinement: 0.3831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No