Information card for entry 4334109

Structure parameters

• Formula: C11 H8 Br Hg I2 N3 O
• Calculated formula: C11 H8 Br Hg I2 N3 O
• 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: 13.609 ± 0.002 Å
• b: 6.907 ± 0.001 Å
• c: 17.596 ± 0.003 Å
• α: 90°
• β: 102.494 ± 0.012°
• γ: 90°
• Cell volume: 1614.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No