Information card for entry 7704987

Structure parameters

• Formula: C16 H11 Br2 Hg N O2
• Calculated formula: C16 H11 Br2 Hg N O2
• Title of publication: Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.
• Authors of publication: Samie, Ali; Salimi, Alireza; Garrison, Jered C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11859 - 11877
• a: 17.8352 ± 0.0006 Å
• b: 3.9583 ± 0.0002 Å
• c: 22.5679 ± 0.0008 Å
• α: 90°
• β: 96.403 ± 0.003°
• γ: 90°
• Cell volume: 1583.29 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No