Information card for entry 1100734

Structure parameters

• Formula: C65 H46.33 Cl2 Hg2.17 I4.33 N8 O4.17
• Calculated formula: C65 H46.34 Cl2 Hg2.16667 I4.33333 N8 O4.16667
• Title of publication: Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
• Authors of publication: Tara J. Burchell; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3718 - 3730
• a: 26.836 ± 0.004 Å
• b: 26.836 ± 0.004 Å
• c: 53.305 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 33246 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2451
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No