Information card for entry 7020487

Structure parameters

• Formula: C7 H9 Cl0.33 N O1.5 Ru0.17
• Calculated formula: C5 H4 Cl0.333333 N O Ru0.166667
• Title of publication: Structural, electronic and acid/base properties of [Ru(bpy(OH)2)3]2+ (bpy(OH)2 = 4,4'-dihydroxy-2,2'-bipyridine).
• Authors of publication: Fuentes, Michelle J.; Bognanno, Richard J.; Dougherty, William G.; Boyko, Walter J.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12514 - 12523
• a: 12.7647 ± 0.0013 Å
• b: 12.7647 ± 0.0013 Å
• c: 16.2308 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2290.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No