Information card for entry 4104720

Structure parameters

• Formula: C70 H60 Cl N O4 P4 Ru
• Calculated formula: C70 H60 Cl N O4 P4 Ru
• Title of publication: Length-Dependent Convergence and Saturation Behavior of Electrochemical, Linear Optical, Quadratic Nonlinear Optical, and cubic Nonlinear Optical Properties of Dipolar Alkynylruthenium Complexes with Oligo(phenyleneethynylene) Bridges
• Authors of publication: Bandar Babgi; Luca Rigamonti; Marie P. Cifuentes; T. Christopher Corkery; Michael D. Randles; Torsten Schwich; Simon Petrie; Robert Stranger; Ayele Teshome; Inge Asselberghs; Koen Clays; Marek Samoc; Mark G. Humphrey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10293 - 10307
• a: 22.2245 ± 0.0002 Å
• b: 12.7995 ± 0.0001 Å
• c: 23.5634 ± 0.0002 Å
• α: 90°
• β: 116.462 ± 0.0005°
• γ: 90°
• Cell volume: 6000.62 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.0425
• Weighted residual factors for all reflections: 0.2097
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No