Information card for entry 7051533

Structure parameters

• Formula: C18 H14 Cl2 Hg N4 O2
• Calculated formula: C18 H14 Cl2 Hg 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: 13.0454 ± 0.0005 Å
• b: 5.0255 ± 0.001 Å
• c: 13.777 ± 0.002 Å
• α: 90°
• β: 96.005 ± 0.009°
• γ: 90°
• Cell volume: 898.3 ± 0.2 ų
• Cell temperature: 173 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No