Information card for entry 7032743

Structure parameters

• Formula: C44 H42 Hg
• Calculated formula: C44 H42 Hg
• SMILES: [Hg](c1c(c2c(C)cccc2C)cccc1c1c(C)cccc1C)c1c(cccc1c1c(C)cccc1C)c1c(C)cccc1C
• Title of publication: Ligand influences on homoleptic Group 12 m-terphenyl complexes.
• Authors of publication: Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14257 - 14264
• a: 20.903 ± 0.009 Å
• b: 20.903 ± 0.009 Å
• c: 31.72 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13860 ± 16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No