Information card for entry 7026865

Structure parameters

• Formula: C66 H50 Au2 Cl6 O2 P2
• Calculated formula: C66 H50 Au2 Cl6 O2 P2
• Title of publication: The electronic structures of diruthenium complexes containing an oligo(phenylene ethynylene) bridging ligand, and some related molecular structures.
• Authors of publication: Khairul, Wan M.; Fox, Mark A.; Schauer, Phil A.; Yufit, Dmitry S.; Albesa-Jové, David; Howard, Judith A. K.; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11605 - 11615
• a: 14.424 ± 0.002 Å
• b: 13.1309 ± 0.0019 Å
• c: 21.74 ± 0.003 Å
• α: 90°
• β: 116.55 ± 0.007°
• γ: 90°
• Cell volume: 3683.3 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No