Information card for entry 4319730

Structure parameters

• Formula: C53 H35 N6 O5 Tl
• Calculated formula: C53 H35 N6 O5 Tl
• SMILES: [Tl]1234([O]=C(O1)C)[n]1c5C(=c6n(N4C(=O)c4ccc(N(=O)=O)cc4)c(=C(c4[n]3c(=C(c3n2c(C(=c1cc5)c1ccccc1)cc3)c1ccccc1)cc4)c1ccccc1)cc6)c1ccccc1
• Title of publication: Metal Complexes of N-p-Nitrobenzoylamido-meso-tetraphenylporphyrin: cis-Acetato-N-p-nitrobenzoylimido-meso- tetraphenylporphyrinatothallium(III) and N-p-Nitrobenzoylimido-meso- tetraphenylporphyrinatonickel(II)
• Authors of publication: Chen-Shing Chang; Ching-Huei Chen; Yu-I Li; Bing-Chuang Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen; Lian-Pin Hwang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2905 - 2909
• a: 12.5257 ± 0.0014 Å
• b: 24.36 ± 0.003 Å
• c: 14.5349 ± 0.0017 Å
• α: 90°
• β: 101.124 ± 0.002°
• γ: 90°
• Cell volume: 4351.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No