Information card for entry 7011778

Structure parameters

• Formula: C17 H11 Ni2 O S20 Te
• Calculated formula: C17 H11 Ni2 O S20 Te0.65
• Title of publication: Unique structural and physical properties of Ni(dmit)2 anion radical salts characterized by short Te???S contacts (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
• Authors of publication: Fujiwara, Masahiro; Kato, Reizo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3763
• a: 11.786 ± 0.005 Å
• b: 19.266 ± 0.004 Å
• c: 7.548 ± 0.002 Å
• α: 92.54 ± 0.02°
• β: 101.78 ± 0.03°
• γ: 82.06 ± 0.02°
• Cell volume: 1661.5 ± 0.9 ų
• Cell temperature: 293.2 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 significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No