Information card for entry 1564159

Structure parameters

• Formula: C28 H34 Hg4 I8 N6 O2
• Calculated formula: C28 H34 Hg4 I8 N6 O2
• SMILES: [Hg]123([I][Hg]([I]1)([I][Hg](I)(I)[I][Hg]14(I)[n]5ccccc5C[N]1(CCO)Cc1[n]4cccc1)I)[n]1ccccc1C[N]2(CCO)Cc1[n]3cccc1
• Title of publication: Monomeric and tetrameric mercury(II) complexes with iodo and N2O2/N3O ligands: Structure and blue luminescence
• Authors of publication: Cho, Minji; Shin, Hye Jin; Kusumahastuti, Dewi K.A.; Yeo, Hyeonuk; Min, Kil Sik
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119789
• a: 9.797 ± 0.002 Å
• b: 16.4 ± 0.003 Å
• c: 16.66 ± 0.003 Å
• α: 115.56 ± 0.03°
• β: 98.51 ± 0.03°
• γ: 102.63 ± 0.03°
• Cell volume: 2265.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No