Information card for entry 7003246

Structure parameters

• Formula: C54 H50 F14 N8 O6 P2
• Calculated formula: C54 H50 F14 N8 O6 P2
• Title of publication: Binding of HgCl2 by tripodal ligands controlled by AgPF6: receptors for the PF6− anion
• Authors of publication: Singh, Ashutosh S.; Bharadwaj, Parimal K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 738 - 741
• a: 13.333 ± 0.0017 Å
• b: 13.333 ± 0.0017 Å
• c: 26.773 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4121.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No