Information card for entry 7051534

Structure parameters

• Formula: C18 H14 Cl2 Hg N4 O2
• Calculated formula: C18 H14 Cl2 Hg0.5 N4 O2
• Title of publication: Molecular tectonics: generation of 2-D molecular networks by combination of coordination and hydrogen bonds
• Authors of publication: Pansanel, Jérôme; Jouaiti, Abdelaziz; Ferlay, Sylvie; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 71
• a: 8.3336 ± 0.0002 Å
• b: 9.2373 ± 0.0002 Å
• c: 11.4459 ± 0.0003 Å
• α: 90°
• β: 94.207 ± 0.005°
• γ: 90°
• Cell volume: 878.73 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.026
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections: 1.507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No