Information card for entry 7053189

Structure parameters

• Formula: C15 H11 Cl2 F6 N4 O P Ru
• Calculated formula: C15 H11 Cl2 F6 N4 O 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: 16.2048 ± 0.0005 Å
• b: 12.3116 ± 0.0004 Å
• c: 19.4697 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3884.3 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No