Information card for entry 4106342

Structure parameters

• Common name: [AuBr(dppe)]2 .2DMSO
• Formula: C56 H60 Au2 Br2 O2 P4 S2
• Calculated formula: C56 H60 Au2 Br2 O2 P4 S2
• Title of publication: Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2
• Authors of publication: Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10229 - 10238
• a: 10.6725 ± 0.0004 Å
• b: 23.1389 ± 0.0009 Å
• c: 11.7127 ± 0.0005 Å
• α: 90°
• β: 106.416 ± 0.004°
• γ: 90°
• Cell volume: 2774.5 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0555
• 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: Yes
• Has Fobs: No