Information card for entry 7034889

Structure parameters

• Common name: tetracyano-meso-tetramethoxyphenylporphyrin
• Chemical name: 2,3,12,13-Tetracyano-meso-tetrakis(4'-methoxyphenyl)porphyrinato Ni(II)
• Formula: C52 H32 N8 Ni O4
• Calculated formula: C52 H32 N8 Ni O4
• SMILES: c1cc2[n]3[Ni]45n6c(c(C#N)c(c6C(=c13)c1ccc(cc1)OC)C#N)C(=c1ccc(C(=c3n4c(=C2c2ccc(cc2)OC)c(C#N)c3C#N)c2ccc(cc2)OC)[n]51)c1ccc(cc1)OC
• Title of publication: Ratiometric and colorimetric "naked eye" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.
• Authors of publication: Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9149 - 9157
• a: 20.844 ± 0.005 Å
• b: 10.732 ± 0.005 Å
• c: 23.22 ± 0.005 Å
• α: 90°
• β: 114.682 ± 0.005°
• γ: 90°
• Cell volume: 4720 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No