Information card for entry 7024737

Structure parameters

• Formula: C31 H48 Au2 Cl2 O P2
• Calculated formula: C31 H48 Au2 Cl2 O P2
• SMILES: [Au]1[P](c2cccc3c2Oc2c(C3(C)C)cccc2[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Au](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: 7.7849 ± 0.0008 Å
• b: 13.2014 ± 0.0013 Å
• c: 16.5664 ± 0.0017 Å
• α: 80.466 ± 0.001°
• β: 82.684 ± 0.001°
• γ: 83.37 ± 0.001°
• Cell volume: 1657.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No