Information card for entry 4327427

Structure parameters

• Formula: C41.5 H38 Cl3.5 Hg N8 O4
• Calculated formula: C41.5 H38 Cl3.5 Hg N8 O4
• 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: 17.305 ± 0.002 Å
• b: 17.305 ± 0.002 Å
• c: 15.158 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4539.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No