Information card for entry 7062031

Structure parameters

• Formula: C26 H25 B F4 O2 Te2
• Calculated formula: C26 H25 B F4 O2 Te2
• SMILES: [Te+](OC)(c1ccc2c3c(ccc([Te]c4ccccc4)c13)CC2)c1ccccc1.[B](F)(F)(F)[F-].OC
• Title of publication: Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives
• Authors of publication: Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 46
• Pages of publication: 22363 - 22383
• a: 10.593 ± 0.003 Å
• b: 11.1 ± 0.002 Å
• c: 12.01 ± 0.002 Å
• α: 61.571 ± 0.014°
• β: 85.183 ± 0.018°
• γ: 87.92 ± 0.02°
• Cell volume: 1237.5 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No