Information card for entry 4303860

Structure parameters

• Formula: C12 H24 Hg N2 O10
• Calculated formula: C12 H24 Hg N2 O10
• SMILES: [Hg]1234567(ON=[O]1)(ON=[O]2)[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC1
• Title of publication: Complexation of Mercury(I) and Mercury(II) by 18-Crown-6: Hydrothermal Synthesis of the Mercuric Nitrite Complex
• Authors of publication: Neil J. Williams; Robert D. Hancock; Joseph H. Riebenspies; Manuel Fernandes; Alvaro S. de Sousa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11724 - 11733
• a: 8.027 ± 0.005 Å
• b: 14.473 ± 0.009 Å
• c: 7.827 ± 0.005 Å
• α: 90°
• β: 95.165 ± 0.011°
• γ: 90°
• Cell volume: 905.6 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No