Information card for entry 4106706

Structure parameters

• Formula: C72 H85 Au2 N P2
• Calculated formula: C72 H82 Au2 N P2
• Title of publication: Organic Triplet Excited States of Gold(I) Complexes with Oligo(o- orm-phenyleneethynylene) Ligands: Conjunction of Steady-State and Time-Resolved Spectroscopic Studies on Exciton Delocalization and Emission Pathways
• Authors of publication: Wei Lu; Wai-Ming Kwok; Chensheng Ma; Chris Tsz-Leung Chan; Ming-Xin Zhu; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14120 - 14135
• a: 11.003 ± 0.002 Å
• b: 13.965 ± 0.003 Å
• c: 21.741 ± 0.004 Å
• α: 90°
• β: 90.25 ± 0.03°
• γ: 90°
• Cell volume: 3340.6 ± 1.1 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No