Information card for entry 1517872

Structure parameters

• Formula: C29 H17 As5 Cl2 F12 Fe Hg3
• Calculated formula: C29 H17 As5 Cl2 F12 Fe 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.[As]12=[As]3[As]4=[As]5[As]1[Fe]16782345[c]2([c]1([c]8([c]6([c]72C)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: 11.9982 ± 0.0002 Å
• b: 13.3448 ± 0.0002 Å
• c: 14.1016 ± 0.0002 Å
• α: 65.329 ± 0.001°
• β: 78.072 ± 0.001°
• γ: 66.415 ± 0.002°
• Cell volume: 1878.24 ± 0.06 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: 0.0272
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No