Information card for entry 7057244

Structure parameters

• Common name: beta-octachloro-meso-tetraphenylporphyrinatozinc(II)
• Chemical name: 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrinatozinc(II)
• Formula: C46 H28 Cl8 N4 O2 Zn
• Calculated formula: C46 H28 Cl8 N4 O2 Zn
• Title of publication: Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes
• Authors of publication: Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8190
• a: 15.706 ± 0.003 Å
• b: 14.352 ± 0.003 Å
• c: 19.961 ± 0.004 Å
• α: 90°
• β: 107.639 ± 0.011°
• γ: 90°
• Cell volume: 4287.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No