Information card for entry 7208312

Structure parameters

• Formula: C32 H26 Br2 Hg N6 O2
• Calculated formula: C32 H26 Br2 Hg N6 O2
• SMILES: [Hg](Br)(Br)([n]1cc(NC(=O)Nc2cccc3ccccc23)ccc1)[n]1cc(NC(=O)Nc2cccc3ccccc23)ccc1
• Title of publication: Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand
• Authors of publication: Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5446
• a: 11.86 ± 0.003 Å
• b: 20.465 ± 0.005 Å
• c: 15.636 ± 0.003 Å
• α: 90°
• β: 124.868 ± 0.012°
• γ: 90°
• Cell volume: 3113.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No