Information card for entry 4307501

Structure parameters

• Formula: C31 H10 F12 Hg3
• Calculated formula: C31 H10 F12 Hg3
• SMILES: [Hg]1c2c([Hg]c3c([Hg]c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.c1cccc2c1Cc1ccccc21
• Title of publication: Enhancement of External Spin-Orbit Coupling Effects Caused by Metal-Metal Cooperativity
• Authors of publication: Charlotte N. Burress; Martha I. Bodine; Oussama Elbjeirami; Joseph H. Reibenspies; Mohammad A. Omary; François P. Gabbaï
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1388 - 1395
• a: 7.0469 ± 0.0014 Å
• b: 44.805 ± 0.009 Å
• c: 17.337 ± 0.004 Å
• α: 90°
• β: 91.36 ± 0.03°
• γ: 90°
• Cell volume: 5472 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No