Information card for entry 7034891

Structure parameters

• Common name: Ni-tetracyanoTPP bis(pyridine) complex
• Chemical name: 2,3,12,13-Tetracyano-meso-tetraphenylporphyrinato Ni(II) bis(pyridine)
• Formula: C58 H34 N10 Ni
• Calculated formula: C58 H34 N10 Ni
• SMILES: [n]1(ccccc1)[Ni]123([n]4c5=C(c6ccc(n26)C(=c2[n]1c(c(C#N)c2C#N)C(=c1ccc(=C(c2ccccc2)c4c(C#N)c5C#N)n31)c1ccccc1)c1ccccc1)c1ccccc1)[n]1ccccc1
• 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: 9.34 ± 0.005 Å
• b: 11.856 ± 0.005 Å
• c: 13.471 ± 0.005 Å
• α: 87.223 ± 0.005°
• β: 70.308 ± 0.005°
• γ: 68.356 ± 0.005°
• Cell volume: 1300.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1292
• 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