Information card for entry 4348285

Structure parameters

• Formula: C40 H76 Au2 F6 N4 O6 P4 S2
• Calculated formula: C40 H76 Au2 F6 N4 O6 P4 S2
• SMILES: C12N(C=CN1P(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[Au]1[Au]=2[P](C(C)(C)C)(C(C)(C)C)N2C=1N(C=C2)P(C(C)(C)C)C(C)(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.
• Authors of publication: Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8527 - 8542
• a: 8.7716 ± 0.0007 Å
• b: 13.4707 ± 0.0009 Å
• c: 23.8674 ± 0.0017 Å
• α: 90°
• β: 92.103 ± 0.002°
• γ: 90°
• Cell volume: 2818.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No