Information card for entry 4314186

Structure parameters

• Formula: C50 H48 Hg2 I4 N8
• Calculated formula: C50 H48 Hg2 I4 N8
• Title of publication: Formation of Dinuclear, Macrocyclic, and Chain Structures from HgI2 and a Semirigid Benzimidazole-Based Bridging Ligand: An Example of Ring-Opening Supramolecular Isomerism
• Authors of publication: Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5685 - 5692
• a: 11.3823 ± 0.0007 Å
• b: 11.5255 ± 0.0007 Å
• c: 20.4802 ± 0.0013 Å
• α: 79.978 ± 0.001°
• β: 80.689 ± 0.001°
• γ: 71.779 ± 0.001°
• Cell volume: 2496.5 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No