Information card for entry 4320457

Structure parameters

• Formula: C48 H24 Hg N8
• Calculated formula: C48 H24 Hg N8
• SMILES: [Hg]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C#N)cc2)c1ccc(cc1)C#N)cc3)c1ccc(cc1)C#N)cc6)c1ccc(cc1)C#N
• 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: 9.9688 ± 0.0011 Å
• b: 12.6663 ± 0.0013 Å
• c: 16.7828 ± 0.0017 Å
• α: 71.756 ± 0.002°
• β: 80.519 ± 0.002°
• γ: 84.567 ± 0.002°
• Cell volume: 1983 ± 0.4 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: 0.0807
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No