Information card for entry 7024731

Structure parameters

• Formula: C37 H29 Au2 Br2 Cl3 O P2
• Calculated formula: C37 H29 Au2 Br2 Cl3 O P2
• SMILES: [Au](Br)[P](c1c(cccc1)Oc1c(cccc1)[P]([Au]Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• 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: 8.981 ± 0.003 Å
• b: 20.448 ± 0.007 Å
• c: 19.993 ± 0.007 Å
• α: 90°
• β: 102.957 ± 0.005°
• γ: 90°
• Cell volume: 3578 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No