Information card for entry 7714440

Structure parameters

• Chemical name: 4-I
• Formula: C52 H68 Au I N12
• Calculated formula: C52 H68 Au I N12
• Title of publication: Exploiting click-chemistry: backbone post-functionalisation of homoleptic gold(I) 1,2,3-triazole-5-ylidene complexes.
• Authors of publication: Richter, Leon F.; Marques, Fernanda; Correia, João D G; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.6459 ± 0.0008 Å
• b: 15.3742 ± 0.0009 Å
• c: 15.6241 ± 0.0009 Å
• α: 106.185 ± 0.002°
• β: 100.478 ± 0.002°
• γ: 91.602 ± 0.002°
• Cell volume: 2632.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No