Information card for entry 1563845

Structure parameters

• Formula: C33 H35 N7 O7
• Calculated formula: C33 H35 N7 O7
• SMILES: c1ccc(cn1)NC(=O)Nc1ccccc1Oc1ccccc1Oc1ccccc1NC(=O)Nc1cccnc1.CN(C)C=O.O.O
• Title of publication: Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands
• Authors of publication: Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 252 - 257
• a: 7.523 ± 0.003 Å
• b: 10.294 ± 0.004 Å
• c: 22.424 ± 0.009 Å
• α: 81.973 ± 0.013°
• β: 86.759 ± 0.011°
• γ: 70.58 ± 0.011°
• Cell volume: 1621.6 ± 1.1 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: 0.1792
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No