Information card for entry 4311104

Structure parameters

• Common name: Compound 3b
• Chemical name: Phthalocyaninato tinIV bis(tetradecanoate)2
• Formula: C60 H70 N8 O4 Sn
• Calculated formula: C60 H70 N8 O4 Sn
• SMILES: [Sn]123([n]4c5=Nc6n2c(N=c2c7c(c(N=c8n1c(=Nc4c1c5cccc1)c1c8cccc1)[n]32)cccc7)c1ccccc61)(OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
• Title of publication: Microwave Assisted Stereoselective Synthesis of Cis-Substituted TinIV Phthalocyanine Dicarboxylates. Application as Corrosion Inhibitors
• Authors of publication: Hiram I. Beltrán; Raquel Esquivel; Arturo Sosa-Sánchez; Jose L. Sosa-Sánchez; Herbert Höpfl; Victor Barba; Norberto Farfán; Mónica Galicia García; Octavio Olivares-Xometl; Luis S. Zamudio-Rivera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3555 - 3557
• a: 9.559 ± 0.005 Å
• b: 11.67 ± 0.005 Å
• c: 25.913 ± 0.005 Å
• α: 81.983 ± 0.005°
• β: 89.708 ± 0.005°
• γ: 73.359 ± 0.005°
• Cell volume: 2740.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No