Information card for entry 4311942

Structure parameters

• Formula: C82 H38 Au4 F30 Fe P2 Se2
• Calculated formula: C82 H38 Au4 F30 Fe P2 Se2
• SMILES: [Au]([Se]([Au][P]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([cH]6[cH]7[cH]8[cH]91)[P]([Au][Se]([Au](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Selenolate Gold Complexes with Aurophilic Au(I)-Au(I) and Au(I)-Au(III) Interactions
• Authors of publication: Silvia Canales; Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7234 - 7238
• a: 13.2844 ± 0.0011 Å
• b: 21.8735 ± 0.0016 Å
• c: 27.1159 ± 0.0018 Å
• α: 90°
• β: 96.923 ± 0.003°
• γ: 90°
• Cell volume: 7821.8 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No