Information card for entry 4327422

Structure parameters

• Formula: C44 H44 Cl4 Hg2 N8 O6
• Calculated formula: C44 H44 Cl4 Hg2 N8 O6
• 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: 9.8328 ± 0.0002 Å
• b: 10.9153 ± 0.0003 Å
• c: 12.241 ± 0.0007 Å
• α: 82.833 ± 0.001°
• β: 74.783 ± 0.001°
• γ: 81.504 ± 0.002°
• Cell volume: 1248.73 ± 0.08 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: 0.1168
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No