Information card for entry 7007847

Structure parameters

• Common name: trimer / phenanthrene
• Formula: C32 H10 F12 Hg3
• Calculated formula: C32 H10 F12 Hg3
• SMILES: c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]c1c([Hg]2)c(c(c(c1F)F)F)F.c1c2ccccc2c2c(c1)cccc2
• Title of publication: Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.
• Authors of publication: Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4654 - 4656
• a: 6.6689 ± 0.0013 Å
• b: 20.645 ± 0.004 Å
• c: 10.14 ± 0.002 Å
• α: 90°
• β: 94.22 ± 0.03°
• γ: 90°
• Cell volume: 1392.3 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No