Information card for entry 1563843

Structure parameters

• Formula: C66 H62 Cl4 Hg2 N14 O10
• Calculated formula: C66 H62 Cl4 Hg2 N14 O10
• SMILES: c1ccc2c[n]1[Hg]([n]1cc(NC(=O)Nc3c(Oc4c(Oc5c(cccc5)NC(=O)Nc5ccc[n](c5)[Hg]([n]5cc(NC(=O)Nc6c(Oc7c(Oc8c(cccc8)NC(=O)N2)cccc7)cccc6)ccc5)(Cl)Cl)cccc4)cccc3)ccc1)(Cl)Cl.CN(C)C=O.N(C)(C)C=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: 8.0211 ± 0.0008 Å
• b: 9.5947 ± 0.0009 Å
• c: 23.143 ± 0.002 Å
• α: 83.253 ± 0.002°
• β: 88.625 ± 0.002°
• γ: 68.291 ± 0.002°
• Cell volume: 1642.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No