Information card for entry 7127122

Structure parameters

• Formula: C23 H26 B10
• Calculated formula: C23 H26 B10
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]4%135([C]37%10%12c1ccccc1)Cc1c2ccccc2cc2ccccc12
• Title of publication: Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.
• Authors of publication: Feuerstein, Wolfram; Breher, Frank
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 83
• Pages of publication: 12589 - 12592
• a: 12.0902 ± 0.0002 Å
• b: 10.2573 ± 0.0002 Å
• c: 17.8407 ± 0.0003 Å
• α: 90°
• β: 91.309 ± 0.001°
• γ: 90°
• Cell volume: 2211.9 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No