Information card for entry 7226864

Structure parameters

• Formula: C18 H14 Hg I2 N4 O
• Calculated formula: C18 H14 Hg I2 N4 O
• SMILES: O=C(c1ccccn1)N[N]1=C(c2cccc[n]2[Hg]1(I)I)c1ccccc1
• Title of publication: The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds
• Authors of publication: Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9056
• a: 19.9763 ± 0.0002 Å
• b: 11.8392 ± 0.0001 Å
• c: 17.7194 ± 0.0002 Å
• α: 90°
• β: 103.328 ± 0.001°
• γ: 90°
• Cell volume: 4077.83 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No