Information card for entry 4350615

Structure parameters

• Formula: C52 H43 F18 N4 P3
• Calculated formula: C52 H43 F18 N4 P3
• 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: 42.215 ± 0.008 Å
• b: 10.309 ± 0.002 Å
• c: 14.107 ± 0.003 Å
• α: 90°
• β: 105.77 ± 0.03°
• γ: 90°
• Cell volume: 5908 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.2121
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.2875
• Weighted residual factors for all reflections included in the refinement: 0.3356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No