Information card for entry 4327423

Structure parameters

• Formula: C38 H32 Cl6 Hg2 N8 O4
• Calculated formula: C38 H32 Cl6 Hg2 N8 O4
• SMILES: [n]12[Hg](Cl)(Cl)[n]3ccc(C(=O)Nc4c(NC(=O)c5cc[n](cc5)[Hg]([n]5ccc(C(=O)Nc6c(NC(=O)c(cc1)cc2)cccc6)cc5)(Cl)Cl)cccc4)cc3.ClCCCl
• Title of publication: Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets
• Authors of publication: Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5550 - 5557
• a: 9.0709 ± 0.0004 Å
• b: 10.4009 ± 0.0005 Å
• c: 11.575 ± 0.0007 Å
• α: 81.207 ± 0.002°
• β: 77.648 ± 0.002°
• γ: 86.289 ± 0.003°
• Cell volume: 1053.65 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No