Information card for entry 4106344

Structure parameters

• Common name: [Au(dppe)Br]-CH2Cl2
• Formula: C27 H26 Au Br Cl2 P2
• Calculated formula: C27 H26 Au Br Cl2 P2
• 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: 9.1275 ± 0.0004 Å
• b: 12.0795 ± 0.0005 Å
• c: 13.7259 ± 0.0006 Å
• α: 67.432 ± 0.003°
• β: 71.848 ± 0.003°
• γ: 83.965 ± 0.004°
• Cell volume: 1327.75 ± 0.11 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: 0.0381
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No