Information card for entry 7005640

Structure parameters

• Formula: C18 H14 Cl2 Hg2 N12
• Calculated formula: C18 H14 Cl2 Hg2 N12
• SMILES: [Hg]1(Cl)(N(C=[N]([Hg]23Cl)c4ncccn4)c4[n]1cccn4)[N](c1ncccn1)=CN2c1nccc[n]31
• 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: 14.2507 ± 0.0017 Å
• b: 15.775 ± 0.002 Å
• c: 10.3758 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No