Information card for entry 7042014

Structure parameters

• Formula: C36 H32 Au2 Cl2 Cu F6 N2 P3
• Calculated formula: C36 H32 Au2 Cl2 Cu F6 N2 P3
• SMILES: [Au]1(Cl)[Cu]([Au]2Cl)([n]3c([P]2(c2ccccc2)c2ccccc2)cccc3C)[n]2c(cccc2[P]1(c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt.
• Authors of publication: Hobbollahi, Elnaz; List, Manuela; Hupp, Benjamin; Mohr, Fabian; Berger, Raphael J. F.; Steffen, Andreas; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3438 - 3442
• a: 10.481 ± 0.0002 Å
• b: 14.0777 ± 0.0003 Å
• c: 14.7299 ± 0.0003 Å
• α: 86.0014 ± 0.0017°
• β: 72.374 ± 0.002°
• γ: 68.873 ± 0.002°
• Cell volume: 1930.21 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No