Information card for entry 4302778

Structure parameters

• Formula: C29.5 H23.5 Cl N5.5 O5.5 Ru
• Calculated formula: C29.5 H23.5 Cl N5.5 O5.5 Ru
• Title of publication: Photosensitization of Ruthenium Nitrosyls to Red Light with an Isoelectronic Series of Heavy-Atom Chromophores: Experimental and Density Functional Theory Studies on the Effects of O-, S- and Se-Substituted Coordinated Dyes
• Authors of publication: Michael J. Rose; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6904 - 6917
• a: 16.212 ± 0.002 Å
• b: 23.147 ± 0.003 Å
• c: 14.423 ± 0.002 Å
• α: 90°
• β: 92.614 ± 0.002°
• γ: 90°
• Cell volume: 5406.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No