Information card for entry 4518213

Structure parameters

• Formula: C24 H18 Br4 Hg N4
• Calculated formula: C24 H18 Br4 Hg N4
• SMILES: [Hg](Br)(Br)([Br-])[Br-].[nH+]1cccc2ccc3cccnc3c12.[nH+]1cccc2ccc3cccnc3c12
• Title of publication: Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.
• Authors of publication: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 29357 - 29372
• a: 7.816 ± 0.0007 Å
• b: 9.0601 ± 0.0008 Å
• c: 18.787 ± 0.0017 Å
• α: 86.438 ± 0.003°
• β: 86.462 ± 0.003°
• γ: 66.489 ± 0.003°
• Cell volume: 1216.59 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No