Information card for entry 8103221

Structure parameters

• Formula: C14 H12 Hg N4 O2 S2
• Calculated formula: C14 H12 Hg N4 O2 S2
• SMILES: c1cccc2C(c3cccc[n]3[Hg]([n]12)(SC#N)SC#N)(OC)O
• Title of publication: Crystal structure of [hydroxy-methoxy-di(2-pyridyl)-methane-?2N,N'](?2-thiocyanato-N:S)(thiocyanato-?S)mercury(II), Hg(C12H12N2O2)(SCN)2
• Authors of publication: Majid Esmhosseini; Nasser Safari; Vahid Amani
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 541
• a: 9.0991 ± 0.001 Å
• b: 14.1665 ± 0.0013 Å
• c: 13.1918 ± 0.0015 Å
• α: 90°
• β: 101.035 ± 0.009°
• γ: 90°
• Cell volume: 1669 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No