Information card for entry 4300201

Structure parameters

• Formula: C53.75 H38.75 Cl2.25 N5 O4 S Tl
• Calculated formula: C53 H39 Cl3 N5 O4 S Tl
• Title of publication: Metal Complexes of N-Tosylamidoporphyrin: cis-Acetato-N-tosylimido- -meso-tetraphenylporphyrinatothallium(III) and trans-Acetato-N-tosylimido- -meso-tetraphenylporphyrinatogallium(III)
• Authors of publication: Jo-Yu Tung; Jyh-Iuan Jang; Chu-Chieh Lin; Jyh-Horung Chen; Lian-Pin Hwang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1106 - 1112
• a: 12.501 ± 0.001 Å
• b: 22.807 ± 0.002 Å
• c: 18.125 ± 0.002 Å
• α: 90°
• β: 90.94 ± 0.02°
• γ: 90°
• Cell volume: 5166.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No