Information card for entry 7112090

Structure parameters

• Formula: C47 H38 N4 P2 S2
• Calculated formula: C47 H38 N4 P2 S2
• SMILES: [S-]C(=S)N(c1ncccc1)c1ncccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The luminescence properties of linear vs. kinked aurophilic 1-D chains of bis(dithiocarbamato)gold(I) dimers
• Authors of publication: Ryan J. Roberts; Nicolas Belanger-Desmarais; Christian Reber; Daniel B. Leznoff
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3148
• a: 15.6667 ± 0.0002 Å
• b: 15.4415 ± 0.0002 Å
• c: 17.7248 ± 0.0002 Å
• α: 90°
• β: 107.715 ± 0.001°
• γ: 90°
• Cell volume: 4084.61 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No