Information card for entry 7118799

Structure parameters

• Formula: C16 H20 Au F6 N2 O2 P
• Calculated formula: C16 H22 Au F6 N2 O2 P
• SMILES: [Au](=C=C=C(N1CCCC1)OC)=C=C=C(N1CCCC1)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.
• Authors of publication: Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 28
• Pages of publication: 4983 - 4986
• a: 7.3239 ± 0.0001 Å
• b: 13.6625 ± 0.0003 Å
• c: 21.1998 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.31 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No