Information card for entry 4323180

Structure parameters

• Formula: C53 H44 F3 N4 O5 S Tl
• Calculated formula: C53 H44 F3 N4 O5 S Tl
• Title of publication: Six-Coordinate Thallium(III) Porphyrin Triflate: Synthesis, Physiochemical Characteristics, and X-ray Crystal Structure of (Trifluoromethanesulfonato)(tetrahydrofuran) (meso-tetraphenylporphyrinato)thallium(III) Tetrahydrofuran Solvate, [Tl(tpp)(OSO2CF3)(THF).THF]
• Authors of publication: Jo-Yu Tung; Jyh-Horung Chen; Feng-Ling Liao; Sue-Lein Wang; Lian-Pin Hwang
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6104 - 6108
• a: 19.2967 ± 0.0001 Å
• b: 11.0937 ± 0.0001 Å
• c: 23.1386 ± 0.0003 Å
• α: 90°
• β: 111.702 ± 0.001°
• γ: 90°
• Cell volume: 4602.23 ± 0.08 ų
• Cell temperature: 296 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0413
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No