Information card for entry 4300011

Structure parameters

• Formula: C20 H36 N Ni S7
• Calculated formula: C20 H36 N Ni S7
• Title of publication: A Convenient Route To Synthesize the Fully Conjugated Bimetallic Complex (Bu4N)2{tto[Ni(dmit)2]} (tto = Tetrathiooxalate, C2S42-, and dmit = 1,3-dithiole-2-thione-4,5-dithiolate, C3S52-) and the Crystal Structure of a New Crystal Form
• Authors of publication: Jun-Feng Bai; Jing-Lin Zuo; Zhen Shen; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1322 - 1324
• a: 9.974 ± 0.0002 Å
• b: 15.2622 ± 0.0003 Å
• c: 17.9482 ± 0.0004 Å
• α: 90°
• β: 90.8125 ± 0.0008°
• γ: 90°
• Cell volume: 2731.89 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No