Information card for entry 4323557

Structure parameters

• Formula: C46 H31 In N2 O4
• Calculated formula: C46 H31 In N4 O2
• Title of publication: Molecular Structures of Ge(tpp)(OAc)2and In(tpp)(OAc) and Their Implications: Correlations between the 13C NMR Chemical Shift of the Acetato Ligand and Different Types of Carboxylate Coordination in M(por)(OAc)n {por = tpp (5,10,15,20-Tetraphenylporphyrinate), tmpp (5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinate), tpyp (5,10,15,20-Tetrakis(4-pyridyl)porphyrinate); M = Ga, In, Tl, Ge, Sn; n= 1, 2}
• Authors of publication: Shwu-Juian Lin; Tay-Ning Hong; Jo-Yu Tung; Jyh-Horung Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3886 - 3891
• a: 10.293 ± 0.001 Å
• b: 16.601 ± 0.002 Å
• c: 21.054 ± 0.002 Å
• α: 90°
• β: 90.28 ± 0.01°
• γ: 90°
• Cell volume: 3597.5 ± 0.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No