Information card for entry 4512981

Structure parameters

• Formula: C11 H7 Br2 Cl2 Hg N3 O
• Calculated formula: C11 H7 Br2 Cl2 Hg N3 O
• Title of publication: Halogen Bonding Synthon Modularity in Coordination Compounds
• Authors of publication: Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2579
• a: 6.7633 ± 0.0004 Å
• b: 13.0955 ± 0.0007 Å
• c: 35.472 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3141.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No