Information card for entry 2219397

Structure parameters

• Chemical name: (5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)(2,2,2-trifluoro-1- phenylethylidene-κ<i>C</i>^1^)ruthenium(II)
• Formula: C52 H33 F3 N4 Ru
• Calculated formula: C52 H33 F3 N4 Ru
• SMILES: [Ru]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)=C(c1ccccc1)C(F)(F)F
• Title of publication: (5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)(2,2,2-trifluoro-1-phenylethylidene-κ<i>C</i>^1^)ruthenium(II): a stable fluorinated alkylidene complex of a ruthenium(II) porphyrin
• Authors of publication: Yuge, Hidetaka; Arakawa, Natsuko; Wada, Satoko; Miyamoto, Takeshi Ken
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1110
• a: 11.131 ± 0.001 Å
• b: 12.634 ± 0.002 Å
• c: 15.749 ± 0.002 Å
• α: 101.713 ± 0.009°
• β: 110.133 ± 0.008°
• γ: 102.15 ± 0.01°
• Cell volume: 1939.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes