Information card for entry 4349212

Structure parameters

• Formula: C28.5 H20.5 Au2 N2.5
• Calculated formula: C28.5 H20.5 Au2 N2.5
• SMILES: c1ccccn1.c1(ccccc1c1ccccc1[N]#C[Au]c1ccccc1)[N]#C[Au]c1ccccc1
• Title of publication: Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.
• Authors of publication: Seki, Tomohiro; Jin, Mingoo; Ito, Hajime
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12309 - 12320
• a: 14.0428 ± 0.0011 Å
• b: 22.697 ± 0.0014 Å
• c: 15.0676 ± 0.0012 Å
• α: 90°
• β: 95.697 ± 0.006°
• γ: 90°
• Cell volume: 4778.8 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1628
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No