Information card for entry 7057242

Structure parameters

• Common name: beta-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
• Chemical name: 2,3,7,8,12,13,17-octachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
• Formula: C46 H28 Cl7.5 N4.5 O3 Zn
• Calculated formula: C46 H28 Cl7.5 N4.5 O3 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: 10.4998 ± 0.0007 Å
• b: 14.4853 ± 0.0009 Å
• c: 15.9272 ± 0.0011 Å
• α: 110.246 ± 0.006°
• β: 97.02 ± 0.006°
• γ: 103.619 ± 0.005°
• Cell volume: 2153 ± 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: 0.148
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2957
• Weighted residual factors for all reflections included in the refinement: 0.3503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No