Information card for entry 4327424

Structure parameters

• Formula: C44 H44 Br4 Hg2 N8 O6
• Calculated formula: C44 H44 Br4 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: 9.385 ± 0.0004 Å
• b: 12.2421 ± 0.0006 Å
• c: 12.9873 ± 0.0008 Å
• α: 104.566 ± 0.002°
• β: 103.513 ± 0.002°
• γ: 111.298 ± 0.003°
• Cell volume: 1255.11 ± 0.12 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: 0.0819
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No