Information card for entry 4345372

Structure parameters

• Common name: Gross73 (Susovan)
• Formula: C134 H72 F30 Ga2 N20
• Calculated formula: C134 H72 F30 Ga2 N20
• SMILES: c1c2C(c3c(F)c(F)c(F)c(c3F)F)=c3n4[Ga]56([n]7ccccc7)([n]7ccccc7)n7c8c(cc7C(=c([n]25)c1)c1c(F)c(F)c(F)c(F)c1F)c1cc2n5c1c1c(cc7C(=c9ccc%10[n]9[Ga]5(n17)([n]1ccccc1)([n]1ccccc1)n1c(=C%10c5c(F)c(F)c(F)c(F)c5F)ccc1=C2c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)c1cc(n6c81)C(=c4cc3)c1c(c(c(c(c1F)F)F)F)F.n1ccccc1.c1cccnc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.c1ccccn1
• 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: 9.22 ± 0.03 Å
• b: 15.59 ± 0.06 Å
• c: 20.27 ± 0.04 Å
• α: 96.33 ± 0.05°
• β: 98.49 ± 0.03°
• γ: 90.73 ± 0.12°
• Cell volume: 2863 ± 16 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: 0.0791
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No