Information card for entry 1517871

Structure parameters

• Formula: C29 H17 Cl2 F12 Fe Hg3 P5
• Calculated formula: C29 H17 Cl2 F12 Fe Hg3 P5
• 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.[Fe]12345678(P9[P]1=[P]2[P]3=[P]49)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl
• Title of publication: A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury
• Authors of publication: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 132
• a: 11.733 ± 0.0002 Å
• b: 12.1852 ± 0.0002 Å
• c: 13.1641 ± 0.0002 Å
• α: 85.129 ± 0.001°
• β: 80.243 ± 0.001°
• γ: 74.103 ± 0.002°
• Cell volume: 1782.43 ± 0.05 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No