Information card for entry 4117308

Structure parameters

• Formula: C18 H12 Ni S12
• Calculated formula: C18 H12 Ni1.03 S12
• Title of publication: Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System
• Authors of publication: Yuki Idobata; Biao Zhou; Akiko Kobayashi; Hayao Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 871 - 874
• a: 6.4186 ± 0.0016 Å
• b: 7.4571 ± 0.0017 Å
• c: 12.041 ± 0.003 Å
• α: 90.538 ± 0.019°
• β: 96.938 ± 0.019°
• γ: 103.547 ± 0.019°
• Cell volume: 555.8 ± 0.2 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 100 kPa
• 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 significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No