Information card for entry 4305073

Structure parameters

• Chemical name: Tetraethylammoniumtetrakis(cyclohexyl)Copper(III)porphyrinogen DCM solvated
• Formula: C51 H74 Cl6 Cu N5
• Calculated formula: C51 H74 Cl6 Cu N5
• SMILES: [Cu]123n4c5C6(c7n3c(C3(c8n2c(C2(c9n1c(C1(c4cc5)CCCCC1)cc9)CCCCC2)cc8)CCCCC3)cc7)CCCCC6.ClCCl.ClCCl.ClCCl.[N+](CC)(CC)(CC)CC
• Title of publication: Formation of Superoxide Anion on Aerial Oxidation of Cu(II)-Porphyrinogen in the Synthesis of Tetrakis(cyclohexyl)porphyrinogenCu(III) Anion
• Authors of publication: Dibyendu Bhattacharya; Suman Maji; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5036 - 5038
• a: 13.619 ± 0.005 Å
• b: 18.299 ± 0.005 Å
• c: 20.249 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5046 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No