Information card for entry 4304290

Structure parameters

• Common name: eisjp04
• Formula: C35 H29 Au2 F3 N2 O2 P2 S
• Calculated formula: C35 H29 Au2 F3 N2 O2 P2 S
• SMILES: [Au]12[Au]([S]=c3n2c2cc(ccc2[nH]3)C)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)C(=O)[O-]
• Title of publication: Strong Intra- and Intermolecular Aurophilic Interactions in a New Series of Brilliantly Luminescent Dinuclear Cationic and Neutral Au(I) Benzimidazolethiolate Complexes
• Authors of publication: Jacob Schneider; Young-A Lee; Javier Pérez; William W. Brennessel; Christine Flaschenriem; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 957 - 968
• a: 16.81 ± 0.003 Å
• b: 22.339 ± 0.004 Å
• c: 20.605 ± 0.004 Å
• α: 90°
• β: 102.613 ± 0.003°
• γ: 90°
• Cell volume: 7551 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No