Information card for entry 7057241

Structure parameters

• Common name: beta-heptachloro-nitro-meso-tetraphenylporphyrin Co(II) complex
• Chemical name: 2,3,7,8,12,13,17-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatocobalt(II)
• Formula: C46 H28 Cl7 Co N5 O4
• Calculated formula: C46 H28 Cl7 Co N5 O4
• 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: 16.157 ± 0.002 Å
• b: 13.9906 ± 0.0017 Å
• c: 20.088 ± 0.003 Å
• α: 90°
• β: 110.011 ± 0.006°
• γ: 90°
• Cell volume: 4266.7 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No