Information card for entry 7218877

Structure parameters

• Common name: Octachloroporphyrin
• Chemical name: 2,3,7,8,12,13,17,18-Octachloro-5,10,15,20-tetraphenylporphyrin
• Formula: C48 H30 Cl8 N6 O2
• Calculated formula: C48 H30 Cl8 N6 O2
• Title of publication: Colorimetric “Naked eye” detection of CN-, F-, CH3COO- and H2PO4- ions by highly nonplanar electron deficient perhaloporphyrins
• Authors of publication: Chaudhri, Nivedita; Sankar, Muniappan
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 19.88 ± 0.003 Å
• b: 19.88 ± 0.004 Å
• c: 13.146 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5195.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.3293
• Weighted residual factors for all reflections included in the refinement: 0.3457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No