Information card for entry 1100730

Structure parameters

• Formula: C33 H25.2 Cl2.8 Hg0.95 N4 O2.6
• Calculated formula: C33 H25.2 Cl2.8 Hg0.95 N4 O2.6
• 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: 18.204 ± 0.004 Å
• b: 10.865 ± 0.002 Å
• c: 16.03 ± 0.003 Å
• α: 90°
• β: 91.91 ± 0.03°
• γ: 90°
• Cell volume: 3168.8 ± 1.1 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No