Information card for entry 7042235

Structure parameters

• Formula: C10 H14 Br2 Hg N2 O
• Calculated formula: C10 H14 Br2 Hg N2 O
• SMILES: [Hg]1(Br)(Br)[O]=N(=Cc2[n]1cccc2)C(C)(C)C
• Title of publication: Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.
• Authors of publication: Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3579 - 3587
• a: 11.6676 ± 0.0005 Å
• b: 8.2857 ± 0.0003 Å
• c: 15.1174 ± 0.0006 Å
• α: 90°
• β: 110.631 ± 0.002°
• γ: 90°
• Cell volume: 1367.74 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No