Information card for entry 7220960

Structure parameters

• Formula: C56 H42 Cl2 N6 O8 Sn
• Calculated formula: C56 H36 Cl2 N6 O8 Sn
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc2)n1[Sn]([n]34)(n56)([n]78)(Cl)Cl)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC.CC#N.N#CC
• Title of publication: Axial Ligand Modified High Valent Tin(IV) Porphyrins: Synthesis, Structure, Photophysical Studies and Photodynamic Antimicrobial Activities on Candida Albicans
• Authors of publication: Soman, Rahul; Raghav, Darpan; Sujatha, Subramaniam; K, Rathinasamy; Arunkumar, Chellaiah
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.817 ± 0.0003 Å
• b: 10.9187 ± 0.0004 Å
• c: 15.3971 ± 0.0006 Å
• α: 93.089 ± 0.002°
• β: 99.167 ± 0.002°
• γ: 102.119 ± 0.002°
• Cell volume: 1263.26 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No