Information card for entry 2014498

Structure parameters

• Formula: C19 H17 I O4 P Re
• Calculated formula: C19 H17 I O4 P Re
• SMILES: [Re](=O)(=O)(=O)[O-].IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate
• Authors of publication: Hołyńska, Małgorzata; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m648 - m650
• a: 10.116 ± 0.003 Å
• b: 15.478 ± 0.003 Å
• c: 12.748 ± 0.003 Å
• α: 90°
• β: 96.62 ± 0.03°
• γ: 90°
• Cell volume: 1982.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No