Information card for entry 4311103

Structure parameters

• Common name: Compound 3a
• Chemical name: Phthalocyaninato tinIV bis(decanoate)2
• Formula: C52 H54 Cl0 N8 O4 Sn
• Calculated formula: C52 H54 N8 O4 Sn
• SMILES: [Sn]1234([n]5c6N=c7n1c(=Nc1[n]2c(=Nc2n3c(N=c5c3c6cccc3)c3c2cccc3)c2c1cccc2)c1c7cccc1)(OC(=[O]4)CCCCCCCCC)OC(=O)CCCCCCCCC
• 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: 13.1764 ± 0.0009 Å
• b: 13.4184 ± 0.0009 Å
• c: 14.9293 ± 0.001 Å
• α: 65.399 ± 0.001°
• β: 71.356 ± 0.001°
• γ: 78.93 ± 0.001°
• Cell volume: 2268.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No