Information card for entry 7034893

Structure parameters

• Common name: Ni-octachloroporphyrin
• Chemical name: 2,3,7,8,12,13,17,18-Octachloroporphyrinato nickel(II)
• Formula: C44 H20 Cl8 N4 Ni
• Calculated formula: C44 H20 Cl8 N4 Ni
• SMILES: [Ni]123n4c5=C(c6[n]3c(=C(c3n1c(C(=c1[n]2c(C(=c4c(Cl)c5Cl)c2ccccc2)c(Cl)c1Cl)c1ccccc1)c(Cl)c3Cl)c1ccccc1)c(Cl)c6Cl)c1ccccc1
• 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: 14.505 ± 0.001 Å
• b: 27.0592 ± 0.0017 Å
• c: 10.7278 ± 0.0007 Å
• α: 90°
• β: 111.7°
• γ: 90°
• Cell volume: 3912.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No