Information card for entry 7021405

Structure parameters

• Formula: C60 H51 F4 N5 O6 Ru
• Calculated formula: C60 H51 F4 N5 O6 Ru
• Title of publication: Stable ruthenium nitrosyl porphyrins with axial O-bonded ligands; preparation and redox behavior.
• Authors of publication: Awasabisah, Dennis; Xu, Nan; Sharmah Gautam, Krishna P.; Powell, Douglas R.; Shaw, Michael J.; Richter-Addo, George B
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8537 - 8540
• a: 9.4322 ± 0.0006 Å
• b: 16.233 ± 0.0011 Å
• c: 18.0081 ± 0.0012 Å
• α: 72.59 ± 0.002°
• β: 78.034 ± 0.002°
• γ: 74 ± 0.003°
• Cell volume: 2505.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No