Information card for entry 7220961

Structure parameters

• Formula: C64 H44 N6 O14 Sn
• Calculated formula: C64 H44 N6 O14 Sn
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Sn]([n]78)(Oc1ccc(N(=O)=O)cc1)(n56)([n]34)Oc1ccc(N(=O)=O)cc1)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC
• 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: 10.6568 ± 0.0005 Å
• b: 12.5048 ± 0.0005 Å
• c: 13.3413 ± 0.0005 Å
• α: 73.218 ± 0.003°
• β: 76.096 ± 0.004°
• γ: 74.284 ± 0.004°
• Cell volume: 1612.98 ± 0.12 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: 0.0378
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No