Information card for entry 4327426

Structure parameters

• Formula: C50 H44 F12 Hg2 N8 O14
• Calculated formula: C50 H44 F12 Hg2 N8 O14
• SMILES: c1cc2cc[n]1[Hg](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)[n]1ccc(CNC(=O)c3c(C(=O)NCc4cc[n](cc4)[Hg]([n]4ccc(CNC(=O)c5c(C(=O)NC2)cccc5)cc4)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)cccc3)cc1.CO.CO
• 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: 15.8158 ± 0.0008 Å
• b: 12.3788 ± 0.0007 Å
• c: 14.9806 ± 0.001 Å
• α: 90°
• β: 110.784 ± 0.002°
• γ: 90°
• Cell volume: 2742.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1408
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No