Information card for entry 7113739

Structure parameters

• Formula: C24 H22 B F4 I N2
• Calculated formula: C24 H22 B F4 I N2
• SMILES: [I+](c1ccccc1)C#CC(C)(C)C.[B](F)(F)(F)[F-].n1cccc2ccc3cccnc3c12
• Title of publication: Solid state structures of pentacoordinated λ3-iodanes with a trigonal bipyramidal geometry: synthesis of diphenyl- and alkynyl(phenyl)-λ3-iodane complexes with 1,10-phenanthroline
• Authors of publication: Ochiai, Masahito; Suefuji, Takashi; Miyamoto, Kazunori; Shiro, Motoo
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1438 - 1439
• a: 7.183 ± 0.002 Å
• b: 17.257 ± 0.005 Å
• c: 18.711 ± 0.005 Å
• α: 90°
• β: 102.8 ± 0.03°
• γ: 90°
• Cell volume: 2261.7 ± 1.1 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK?a
• Duplicate of: 7103707
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No