Information card for entry 7233009

Structure parameters

• Common name: 2
• Chemical name: 2
• Formula: C24 H18 Br2 Hg N2 O4
• Calculated formula: C24 H18 Br2 Hg N2 O4
• Title of publication: Conformational variation of ligands in mercury halide complexes; high and low Z′ structures
• Authors of publication: Samie, Ali; Salimi, Alireza
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 33
• Pages of publication: 4951
• a: 9.436 ± 0.005 Å
• b: 15.89 ± 0.01 Å
• c: 17.648 ± 0.01 Å
• α: 99.93 ± 0.03°
• β: 97.67 ± 0.02°
• γ: 107.083 ± 0.017°
• Cell volume: 2443 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No