Information card for entry 4106345

Structure parameters

• Common name: [Au2(dppe)2Br2].CH3CN
• Formula: C54 H51 Au2 Br2 N P4
• Calculated formula: C54 H51 Au2 Br2 N P4
• 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: 11.8336 ± 0.0004 Å
• b: 14.4702 ± 0.0005 Å
• c: 15.2751 ± 0.0005 Å
• α: 77.09 ± 0.002°
• β: 78.172 ± 0.002°
• γ: 80.294 ± 0.003°
• Cell volume: 2474.62 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.019
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No