Information card for entry 4078016

Structure parameters

• Formula: C34 H44 Au2 N14 O2
• Calculated formula: C34 H44 Au2 N14 O2
• SMILES: C1(=[Au]=C2N(C=CN2c2nc(nc([O-])n2)N2C3N(C=C2)C(C)(C)C)C(C)(C)C)N(C(C)(C)C)C=CN1c1nc(nc([O-])n1)N1C(N(C=C1)C(C)(C)C)=[Au]=3
• Title of publication: Triazinone-Bridged Neutral Dinuclear Gold(I)-NHC Complex
• Authors of publication: Poethig, Alexander; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3431
• a: 11.592 ± 0.002 Å
• b: 16.191 ± 0.003 Å
• c: 20.505 ± 0.004 Å
• α: 90°
• β: 92.07 ± 0.03°
• γ: 90°
• Cell volume: 3846 ± 1.2 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No