Information card for entry 7005642

Structure parameters

• Formula: C18 H14 Hg2 I2 N12
• Calculated formula: C18 H14 Hg2 I2 N12
• SMILES: [Hg]12(I)[N](c3ncccn3)=CN3[Hg](I)([n]4c3nccc4)[N](c3ncccn3)=CN1c1nccc[n]21
• Title of publication: Crystal structures and solution behaviors of dinuclear d(10)-metal complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.
• Authors of publication: Chan, Zhi-Kai; Chen, Tsun-Ren; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3450 - 3458
• a: 15.6846 ± 0.0016 Å
• b: 10.1364 ± 0.0015 Å
• c: 16.822 ± 0.002 Å
• α: 90°
• β: 105.659 ± 0.007°
• γ: 90°
• Cell volume: 2575.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No