Information card for entry 1564158

Structure parameters

• Formula: C10 H16 Hg I2 N2 O2
• Calculated formula: C10 H16 Hg I2 N2 O2
• SMILES: [Hg]1(I)(I)[n]2ccccc2C[N]1(CCO)CCO
• 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: 7.99 ± 0.0016 Å
• b: 13.145 ± 0.003 Å
• c: 14.698 ± 0.003 Å
• α: 90°
• β: 99.84 ± 0.03°
• γ: 90°
• Cell volume: 1521 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0411
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No