Information card for entry 7024735

Structure parameters

• Formula: C39 H32 Au2 Br2 O P2
• Calculated formula: C39 H32 Au2 Br2 O P2
• SMILES: [Au](Br)[P](c1ccccc1)(c1ccccc1)c1c2Oc3c([P]([Au]Br)(c4ccccc4)c4ccccc4)cccc3C(c2ccc1)(C)C
• Title of publication: Gold(I) halide complexes of bis(diphenylphosphine)diphenyl ether ligands: a balance of ligand strain and non-covalent interactions.
• Authors of publication: Partyka, David V.; Updegraff, 3rd, James B; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5388 - 5397
• a: 10.5328 ± 0.0019 Å
• b: 18.36 ± 0.003 Å
• c: 19.185 ± 0.004 Å
• α: 90°
• β: 96.391 ± 0.002°
• γ: 90°
• Cell volume: 3687 ± 1.2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No