Information card for entry 4116511

Structure parameters

• Formula: C20 H21 Au N3 O2 S10
• Calculated formula: C20 H21 Au0.75 N3 O2 S10
• Title of publication: M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2
• Authors of publication: Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8098 - 8103
• a: 14.42 ± 0.005 Å
• b: 16.544 ± 0.004 Å
• c: 12.741 ± 0.003 Å
• α: 92.71 ± 0.02°
• β: 100.13 ± 0.02°
• γ: 103.61 ± 0.02°
• Cell volume: 2895.6 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 3.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No