Information card for entry 7024739

Structure parameters

• Formula: C31 H48 Au2 I2 O P2
• Calculated formula: C31 H48 Au2 I2 O P2
• SMILES: [Au](I)[I-].[Au]1[P](c2c3Oc4c(C(c3ccc2)(C)C)cccc4[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(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: 7.9986 ± 0.0004 Å
• b: 13.443 ± 0.0007 Å
• c: 16.993 ± 0.0009 Å
• α: 80.923 ± 0.001°
• β: 83.948 ± 0.001°
• γ: 84.23 ± 0.001°
• Cell volume: 1787.68 ± 0.16 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: 0.0264
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No