Information card for entry 4101778

Structure parameters

• Formula: C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24
• Calculated formula: C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24
• Title of publication: Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site
• Authors of publication: Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 517 - 523
• a: 21.8438 ± 0.0004 Å
• b: 21.8438 ± 0.0004 Å
• c: 21.8438 ± 0.0004 Å
• α: 99.34°
• β: 99.34°
• γ: 99.34°
• Cell volume: 9956 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No