Information card for entry 4106347

Structure parameters

• Common name: [AuBr(dppe)]2.2acetone
• Formula: C58 H60 Au2 Br2 O2 P4
• Calculated formula: C58 H60 Au2 Br2 O2 P4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au]([P](c2ccccc2)(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Au]([P](CC1)(c1ccccc1)c1ccccc1)Br)Br.O=C(C)C.O=C(C)C
• 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: 10.776 ± 0.002 Å
• b: 22.739 ± 0.004 Å
• c: 11.738 ± 0.002 Å
• α: 90°
• β: 106.848 ± 0.003°
• γ: 90°
• Cell volume: 2752.8 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No