Information card for entry 7707636

Structure parameters

• Formula: C25 H19 Au Cl P
• Calculated formula: C25 H19 Au Cl P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)Cc1c2c(c3c2cccc3)ccc1
• Title of publication: Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.
• Authors of publication: Feuerstein, Wolfram; Breher, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 28
• Pages of publication: 9754 - 9767
• a: 8.415 ± 0.0017 Å
• b: 11.176 ± 0.002 Å
• c: 12.451 ± 0.003 Å
• α: 109.57 ± 0.03°
• β: 106.82 ± 0.03°
• γ: 93.89 ± 0.03°
• Cell volume: 1038.3 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0449
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No