Information card for entry 4320937

Structure parameters

• Formula: C51 H41 Cl4 N4 O4 Tl
• Calculated formula: C51 H39 Cl4 N4 O4 Tl
• Title of publication: Crystal and Molecular Structure of an Eight-Coodinate N-Methyltetraphenylporphyrin Complex: Diacetato(N-methyl-meso-tetraphenylporphyrinato)thallium(III)
• 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: 2000
• Journal volume: 39
• Pages of publication: 2120 - 2124
• a: 10.6234 ± 0.0002 Å
• b: 35.5553 ± 0.0007 Å
• c: 13.5231 ± 0.0002 Å
• α: 90°
• β: 106.732 ± 0.001°
• γ: 90°
• Cell volume: 4891.66 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No