Information card for entry 1100731

Structure parameters

• Formula: C33 H22 Br2 Cl2 Hg N4 O2
• Calculated formula: C33 H22 Br2 Cl2 Hg N4 O2
• 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: 18.187 ± 0.004 Å
• b: 11.165 ± 0.002 Å
• c: 16.286 ± 0.003 Å
• α: 90°
• β: 92.5 ± 0.03°
• γ: 90°
• Cell volume: 3303.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No