Information card for entry 8103315

Structure parameters

• Formula: C34 H38 Hg2 N12 O4 S4
• Calculated formula: C34 H38 Hg2 N12 O4 S4
• Title of publication: Crystal structure of bis{[4,4,5,5-tetramethyl-2-(1-methyl-1H-benzimidazol-2-yl)-4,5-dihydroimidazole-1-oxyl- 3-oxide-k2N,O]-(m2-thiocyanato-N:S)(thiocyanato-kS)mercury(II)}, Hg2(C15H19N4O2)2(SCN)4
• Authors of publication: Shu-Fang Lou; Qing Wang; Jie Ding
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 105
• a: 7.0767 ± 0.0005 Å
• b: 12.0722 ± 0.0008 Å
• c: 12.6814 ± 0.0008 Å
• α: 81.813 ± 0.001°
• β: 89.79 ± 0.001°
• γ: 76.45 ± 0.001°
• Cell volume: 1042 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No