Information card for entry 1565534

Structure parameters

• Formula: C14 H8 Cu N6 S8
• Calculated formula: C14 H8 Cu N6 S8
• SMILES: S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2.[Cu]1N=C=NC#[N][Cu](N=C=NC#[N]1)(N=C=NC#N)N=C=NC#N
• Title of publication: Emerged Metallicity in Molecular Ferromagnetic Wires.
• Authors of publication: Huang, Yulong; Mitchell, Travis; Yost, Dillon C.; Hu, Yong; Benedict, Jason B.; Grossman, Jeffrey C.; Ren, Shenqiang
• Journal of publication: Nano letters
• Year of publication: 2021
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 9746 - 9753
• a: 10.3099 ± 0.0007 Å
• b: 13.9369 ± 0.0008 Å
• c: 13.8855 ± 0.0012 Å
• α: 90°
• β: 93.83 ± 0.002°
• γ: 90°
• Cell volume: 1990.7 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No