Information card for entry 7057243

Structure parameters

• Common name: beta-octachloro-meso-tetraphenylporphyrinatonickel(II)
• Chemical name: 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrinatonickel(II)
• Formula: C44 H20 Cl8 N4 Ni
• Calculated formula: C44 H20 Cl8 N4 Ni
• 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: 14.4657 ± 0.0007 Å
• b: 27.0627 ± 0.0014 Å
• c: 10.7356 ± 0.0006 Å
• α: 90°
• β: 111.244 ± 0.003°
• γ: 90°
• Cell volume: 3917.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No