Information card for entry 7107351

Structure parameters

• Formula: C36 H28 Cl4 Hg2 I1.18 N8 O4
• Calculated formula: C36 H28 Cl4 Hg2 I1.176 N8 O4
• Title of publication: Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials
• Authors of publication: Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2110
• a: 7.4703 ± 0.0002 Å
• b: 11.6228 ± 0.0003 Å
• c: 24.2709 ± 0.0006 Å
• α: 90°
• β: 96.023 ± 0.003°
• γ: 90°
• Cell volume: 2095.71 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 2.443
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No