Information card for entry 1504363

Structure parameters

• Formula: C55 H51 Cl3 N4 S8
• Calculated formula: C55 H51 Cl3 N4 S8
• SMILES: c1c(cc2ccc3cc(cnc3c2n1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1.C(Cl)(Cl)Cl
• Title of publication: Effects of Metal−Ion Complexation for the Self-Assembled Nanocomposite Films Composed of Gold Nanoparticles and 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 μm Gap Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction, and Photoresponse
• Authors of publication: Huang, Wei; Tanaka, Hirofumi; Ogawa, Takuji
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 30
• Pages of publication: 11513
• a: 13.388 ± 0.003 Å
• b: 13.833 ± 0.003 Å
• c: 16.353 ± 0.003 Å
• α: 80.08 ± 0.03°
• β: 80.02 ± 0.03°
• γ: 65.63 ± 0.03°
• Cell volume: 2699.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No