Information card for entry 7024733

Structure parameters

• Formula: C36 H26 Au2 Br2 O P2
• Calculated formula: C36 H26 Au2 Br2 O P2
• SMILES: [Au](Br)[P](c1c2oc3c([P]([Au]Br)(c4ccccc4)c4ccccc4)cccc3c2ccc1)(c1ccccc1)c1ccccc1
• 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: 12.0279 ± 0.0019 Å
• b: 12.491 ± 0.002 Å
• c: 12.561 ± 0.002 Å
• α: 109.152 ± 0.002°
• β: 92.054 ± 0.002°
• γ: 94.291 ± 0.002°
• Cell volume: 1774.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0385
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No