Information card for entry 4308156

Structure parameters

• Formula: C80 H114 Au2 P2 Pd S4
• Calculated formula: C80 H114 Au2 P2 Pd S4
• SMILES: c1c(ccc2c3ccc(cc3C(=C3S[Pd]4([S]3[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)SC(=C3c5cc(ccc5c5ccc(cc35)C(C)(C)C)C(C)(C)C)[S]4[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)c12)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Luminescence of Di- and Trinuclear Palladium/Gold and Platinum/Gold Complexes with (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate,1
• Authors of publication: José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4718 - 4732
• a: 9.5339 ± 0.0004 Å
• b: 15.1567 ± 0.0007 Å
• c: 26.6961 ± 0.0012 Å
• α: 90°
• β: 92.012 ± 0.002°
• γ: 90°
• Cell volume: 3855.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No