Information card for entry 7057245

Structure parameters

• Common name: beta-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
• Chemical name: 2,3,7,8,12,13,17-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
• Formula: C49 H25 Cl7 N6 O2 Zn
• Calculated formula: C49 H25 Cl7 N5.9688 O1.9376 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: 22.161 ± 0.007 Å
• b: 14.459 ± 0.004 Å
• c: 29.775 ± 0.009 Å
• α: 90°
• β: 105.085 ± 0.012°
• γ: 90°
• Cell volume: 9212 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No