Information card for entry 7709024

Structure parameters

• Formula: C40 H31 Au N2
• Calculated formula: C40 H31 Au N2
• SMILES: [Au](n1c2c(c3c1cccc3)cccc2)=C1C(=C2N(C1(c1ccccc1)c1ccccc1)C(=CC=C2)C)c1ccc(cc1)C
• Title of publication: Synthesis and photophysical properties of linear gold(I) complexes based on a CCC carbene.
• Authors of publication: Romanov, Alexander S.; Linnolahti, Mikko; Bochmann, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 46
• Pages of publication: 17156 - 17164
• a: 15.6793 ± 0.0011 Å
• b: 12.7012 ± 0.0006 Å
• c: 15.9435 ± 0.0011 Å
• α: 90°
• β: 110.255 ± 0.008°
• γ: 90°
• Cell volume: 2978.7 ± 0.4 ų
• Cell temperature: 140 ± 0.4 K
• Ambient diffraction temperature: 140 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No