Information card for entry 4070139

Structure parameters

• Formula: C44 H20 F24 Hg6 O6
• Calculated formula: C44 H20 F24 Hg6 O6
• SMILES: Fc1c2[Hg]c3c(c(c(c(c3F)F)F)F)[Hg]c3c(c(c(c(c3F)F)F)F)[Hg]c2c(c(c1F)F)F.O1CCOCCOCCOCC1.O.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(F)c(c(c1F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2.O
• Title of publication: Complexation of [12]Crown-4, [18]Crown-6, and 1,3,5-Trioxane with Cyclic Trimeric Perfluoro-o-phenylenemercury. Synthesis and Structures of the First Complexes of Crown Ethers with an Anticrown
• Authors of publication: Tikhonova, Irina A.; Gribanyov, Dmitry A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Smol’yakov, Alexandr F.; Peregudov, Alexandr S.; Klemenkova, Zinaida S.; Shur, Vladimir B.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6567
• a: 10.8129 ± 0.0003 Å
• b: 10.8204 ± 0.0003 Å
• c: 12.498 ± 0.0005 Å
• α: 113.889 ± 0.001°
• β: 104.511 ± 0.001°
• γ: 103.509 ± 0.001°
• Cell volume: 1198.03 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No