Information card for entry 4106346

Structure parameters

• Common name: [AuBr(dppe)]2.2(DMF)
• Formula: C58 H62 Au2 Br2 N2 O2 P4
• Calculated formula: C58 H62 Au2 Br2 N2 O2 P4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au]([P](CC[P](c2ccccc2)(c2ccccc2)[Au]([P](CC1)(c1ccccc1)c1ccccc1)Br)(c1ccccc1)c1ccccc1)Br.O=CN(C)C.N(C)(C)C=O
• 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: 11.0206 ± 0.001 Å
• b: 11.6968 ± 0.0011 Å
• c: 12.2211 ± 0.0011 Å
• α: 103.357 ± 0.002°
• β: 101.085 ± 0.002°
• γ: 109.337 ± 0.002°
• Cell volume: 1382.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No