Information card for entry 1563913

Structure parameters

• Formula: C12 H19 Hg N5
• Calculated formula: C12 H19 Hg N5
• SMILES: [Hg]12([N](Cc3c2cccc3)(C)CC[N]1(C)C)N=N#N
• Title of publication: Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives
• Authors of publication: Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 218 - 228
• a: 9.2245 ± 0.0007 Å
• b: 9.4152 ± 0.0008 Å
• c: 9.4569 ± 0.0007 Å
• α: 89.764 ± 0.007°
• β: 69.016 ± 0.007°
• γ: 79.02 ± 0.007°
• Cell volume: 750.98 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No