Information card for entry 4334108

Structure parameters

• Formula: C22 H18 Hg2 I4 N6 O2
• Calculated formula: C22 H18 Hg2 I4 N6 O2
• Title of publication: Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity
• Authors of publication: Hamid Reza Khavasi; Alireza Azhdari Tehrani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2891 - 2905
• a: 7.2849 ± 0.0011 Å
• b: 12.5265 ± 0.0014 Å
• c: 33.365 ± 0.004 Å
• α: 90°
• β: 91.415 ± 0.011°
• γ: 90°
• Cell volume: 3043.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3578
• Weighted residual factors for all reflections included in the refinement: 0.3766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No