Information card for entry 7040586

Structure parameters

• Common name: Cu(II) Complex of 2-Formyl-meso-tetrakis(3,5-ditertbutyl-4-hydroxyphenyl)porphyrin
• Chemical name: 2-Formyl-meso-tetrakis(3,5-ditertbutyl-4-hydroxyphenyl)porphyrinatocopper(II)
• Formula: C83 H105 Cu N4 O5
• Calculated formula: C77 H91 Cu N4 O5
• Title of publication: Switching between porphyrin, porphodimethene and porphyrinogen using cyanide and fluoride ions mimicking volatile molecular memory and the 'NOR' logic gate.
• Authors of publication: Chahal, Mandeep K.; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16404 - 16412
• a: 10.8479 ± 0.0004 Å
• b: 14.6207 ± 0.0005 Å
• c: 15.9745 ± 0.0005 Å
• α: 70.078 ± 0.002°
• β: 76.389 ± 0.002°
• γ: 68.533 ± 0.002°
• Cell volume: 2198.96 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No