Information card for entry 4077298

Structure parameters

• Formula: C6 H10 Hg O2
• Calculated formula: C6 H10 Hg O2
• SMILES: [Hg](CC(=O)C)CC(=O)C
• Title of publication: Chelating Diamide Group IV Metal Olefin Polymerization Catalysts
• Authors of publication: Patton, Jasson T.; Feng, Shaoguang G.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3399
• a: 8.9637 ± 0.0006 Å
• b: 9.0961 ± 0.0005 Å
• c: 9.5728 ± 0.0007 Å
• α: 90°
• β: 101.194 ± 0.005°
• γ: 90°
• Cell volume: 765.67 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.0666
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No