Information card for entry 4077631

Structure parameters

• Formula: C42 H35 P Te3
• Calculated formula: C42 H35 P Te3
• SMILES: [Te-]([Te]c1ccccc1)([Te]c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Isolation of a Catenated Organotelluride Anion in the Sodium Borohydride Reduction of Diphenylditelluride
• Authors of publication: Witthaut, Daniel; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 24
• Pages of publication: 5238
• a: 9.4626 ± 0.0001 Å
• b: 28.851 ± 0.0002 Å
• c: 13.96 ± 0.0002 Å
• α: 90°
• β: 104.177 ± 0.001°
• γ: 90°
• Cell volume: 3695.08 ± 0.07 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 4
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.0723
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No