Information card for entry 7053190

Structure parameters

• Formula: C25 H24 Cl2 F6 N5 O2 P Ru
• Calculated formula: C25 H24 Cl2 F6 N5 O2 P Ru
• Title of publication: Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes
• Authors of publication: Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3518
• a: 25.538 ± 0.0016 Å
• b: 15.5011 ± 0.0009 Å
• c: 14.6239 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5789.1 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No