Information card for entry 4345371

Structure parameters

• Common name: Gross71 (Susovan)
• Formula: C74 H18 F30 N8
• Calculated formula: C74 H18 F30 N8
• SMILES: c12c3cc(C(c4c(F)c(F)c(F)c(F)c4F)=c4ccc([nH]4)=C(c4[nH]c(C(c5c(F)c(c(c(c5F)F)F)F)=c5nc2c(c2c6c7nc(cc37)=C(c3[nH]c(C(=c7ccc(=C(c(c2)[nH]6)c2c(F)c(F)c(F)c(F)c2F)[nH]7)c2c(F)c(F)c(F)c(F)c2F)cc3)c2c(c(c(c(c2F)F)F)F)F)c5)cc4)c2c(F)c(F)c(F)c(F)c2F)[nH]1
• Title of publication: The Planar Cyclooctatetraene Bridge in Bis-Metallic Macrocycles: Isolating or Conjugating?
• Authors of publication: Bhowmik, Susovan; Kosa, Monica; Mizrahi, Amir; Fridman, Natalia; Saphier, Magal; Stanger, Amnon; Gross, Zeev
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2287 - 2296
• a: 6.331 ± 0.006 Å
• b: 15.802 ± 0.006 Å
• c: 15.896 ± 0.009 Å
• α: 113.361 ± 0.006°
• β: 94.325 ± 0.004°
• γ: 97.777 ± 0.01°
• Cell volume: 1431.8 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No