Information card for entry 2013414

Structure parameters

• Formula: C63 H44 F6 N4 Ru
• Calculated formula: C63 H44 F6 N4 Ru
• Title of publication: A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II)
• Authors of publication: Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m369 - m370
• a: 11.817 ± 0.003 Å
• b: 11.817 ± 0.003 Å
• c: 36.608 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5112 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes