Information card for entry 4073470

Structure parameters

• Formula: C43 H45 Au N2
• Calculated formula: C43 H45 Au N2
• SMILES: [Au](c1ccc2ccc3cccc4ccc1c2c34)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Gold(I) Pyrenyls: Excited-State Consequences of Carbon−Gold Bond Formation
• Authors of publication: Partyka, David V.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3279
• a: 12.2122 ± 0.0013 Å
• b: 12.1108 ± 0.0013 Å
• c: 23.06 ± 0.003 Å
• α: 90°
• β: 90.024 ± 0.002°
• γ: 90°
• Cell volume: 3410.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No