Information card for entry 1100729

Structure parameters

• Formula: C37 H34 Cl2 Hg I2 N4 O3
• Calculated formula: C37 H34 Cl2 Hg I2 N4 O3
• 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: 15.023 ± 0.003 Å
• b: 15.582 ± 0.003 Å
• c: 16.554 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3875.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No