Information card for entry 4320458

Structure parameters

• Formula: C46 H33 Cl3 Hg N4
• Calculated formula: C46 H33 Cl3 Hg N4
• SMILES: [Hg]12(Cl)[n]3c4C(=c5n(c(=C(c6[n]2c(=C(c2n1c(C(=c3cc4)c1ccccc1)cc2)c1ccccc1)cc6)c1ccccc1)cc5)C)c1ccccc1.C(Cl)Cl
• Title of publication: Mercury Complexes of meso-Tetra-(p-cyanophenyl)porphyrin and N-methylporphyrin: meso- Tetra(p-cyanophenyl)porphyrinatomercury(II) and Chloro(N-methyl-meso- tetraphenylporphyrinato)mercury(II)
• Authors of publication: Ming-Cheng Wang; Long-Seen Sue; Bing-Chung Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6064 - 6068
• a: 12.6343 ± 0.0009 Å
• b: 13.3035 ± 0.0009 Å
• c: 13.9524 ± 0.001 Å
• α: 67.65 ± 0.001°
• β: 88.698 ± 0.001°
• γ: 64.591 ± 0.001°
• Cell volume: 1931.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No