Information card for entry 4350617

Structure parameters

• Formula: C46 H53 As4 Cl F12 N2 P2 Ru
• Calculated formula: C46 H53 As4 Cl F12 N2 P2 Ru
• Title of publication: Extended dipolar nonlinear optical chromophores based on trans-bis[1,2-phenylenebis(dimethylarsine)]chlororuthenium(II) centers.
• Authors of publication: Coe, Benjamin J.; Harries, Josephine L.; Harris, James A.; Brunschwig, Bruce S.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 11019 - 11029
• a: 9.345 ± 0.002 Å
• b: 53.743 ± 0.009 Å
• c: 25.264 ± 0.004 Å
• α: 90°
• β: 98.056 ± 0.016°
• γ: 90°
• Cell volume: 12563 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2371
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.3131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No