Information card for entry 4327266

Structure parameters

• Formula: C40 H44 As4 Cl F6 N2 P Ru
• Calculated formula: C40 H44 As4 Cl F6 N2 P Ru
• Title of publication: Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors
• Authors of publication: Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 1215 - 1227
• a: 34.075 ± 0.007 Å
• b: 9.3403 ± 0.0019 Å
• c: 32.136 ± 0.006 Å
• α: 90°
• β: 102.73 ± 0.03°
• γ: 90°
• Cell volume: 9977 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2359
• Residual factor for significantly intense reflections: 0.1333
• Weighted residual factors for significantly intense reflections: 0.3419
• Weighted residual factors for all reflections included in the refinement: 0.3956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No