Information card for entry 4300202

Structure parameters

• Formula: C53 H38 Ga N5 O4 S
• Calculated formula: C53 H38 Ga N5 O4 S
• SMILES: [Ga]123(OC(=O)C)[N]4=C5C(=C6N(=[N]3S(=O)(=O)c3ccc(cc3)C)=C(C(=C3[N]2=C(C(=C2[N]1=C(C(=C4C=C5)c1ccccc1)C=C2)c1ccccc1)C=C3)c1ccccc1)C=C6)c1ccccc1
• 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: 11.5126 ± 0.0008 Å
• b: 12.9912 ± 0.0009 Å
• c: 16.7857 ± 0.0011 Å
• α: 82.661 ± 0.001°
• β: 72.578 ± 0.001°
• γ: 73.461 ± 0.001°
• Cell volume: 2293.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1785
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No